4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benzo[g]chromen-7-yl]-benzoic acid

HCID 9845382

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(C2=CC(C)(C)Oc3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)s1
InChIKey: HFYASNDAIXLFTJ-UHFFFAOYSA-N
Molecular formula: C27H22O3S
Average molar mass: 426.5 g/mol

Names & identifiers

Preferred name: 4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benzo[g]chromen-7-yl]-benzoic acid
IUPAC: 4-[2,2-dimethyl-4-(5-methylthiophen-2-yl)benzo[g]chromen-7-yl]benzoic acid

Names & synonyms

CHEMBL163530HFYASNDAIXLFTJ-UHFFFAOYSA-NBDBM500758764-[2,2-Dimethyl-4-(5-methyl-thien-2-yl)-benzo[1,2-g]-chrom-3-en-7-yl]benzoic Acid4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benzo[g]chromen-7-yl]-benzoic acid

Database identifiers

PubChem CID: 9845382
ChEMBL: CHEMBL163530
Nikkaji: J1.077.888C

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 31
Formal charge: 0
Complexity: 707

Related reactions

4 records

New reaction record

HRID 2622As productuspto-grants-1998_03

HRID 1375277As productuspto-grants-2007_01

HRID 1862746As productuspto-grants-2003_03

HRID 2288315As productuspto-grants-2000_07

Compound notes

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