Basic information
- CAS
110368-35-9- Standard SMILES
CC1(C)CCC(C)(C)c2cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)ccc21- InChIKey
ZXQHMEUGMCXKLO-KPKJPENVSA-N- Molecular formula
- C24H26O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.18819469
Names & identifiers
- Preferred name
- Bms-181156
- IUPAC
- 4-[(E)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
- English name
- Ch 80
- Molecular formula
- C24H26O3
- Molecular weight
- 362.46
Names & synonyms
Ch 8095906-68-6Ch-80BMS-181156C9FL8WH6S44-(3-Oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acidBMS 181156(E)-4-(3-Oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid110368-35-94-[(1E)-3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acidBenzoic acid, 4-(3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (E)-4-((1E)-3-OXO-3-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)-1-PROPEN-1-YL)BENZOIC ACID
Show more names
Benzoic acid, 4-[3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl]-
BENZOIC ACID, 4-((1E)-3-OXO-3-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)-1-PROPEN-1-YL)-Benzoic acid, 4-(3-oxo-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-4-((1E)-3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl)benzoic acidRefChem:5697194-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID4-[(E)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid1fczDTXSID401364792
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 593
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 199 · 199-201 °C
- Boiling point
- 544.3 · 544.3±50.0 °C(Predicted)
- Density
- 1.111 · 1.111±0.06 g/cm3(Predicted)
- pka
- 4.14 · 4.14±0.10(Predicted)
- FDA UNII
- 9 FL8WH6S4 · C9FL8WH6S4
Chemistry & industry
Applications
DescriptionCH 80 is a bio-active chemical.
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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