Phenol, 4-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]-

HCID 10980903

Notes Reactions

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Basic information

CAS: 89765-31-1
Standard SMILES: CC(C)(CCCc1cccc(Oc2ccccc2)c1)c1ccc(O)cc1
InChIKey: HDRBIJDBWJTWNU-UHFFFAOYSA-N
Molecular formula: C24H26O2
Average molar mass: 346.5 g/mol
Monoisotopic mass: 346.19328007

Names & identifiers

Preferred name: Phenol, 4-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]-
IUPAC: 4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenol

Names & synonyms

89765-31-1Phenol, 4-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]phenolSCHEMBL9324651DTXSID90450656HDRBIJDBWJTWNU-UHFFFAOYSA-N1-(3-phenoxyphenyl)-4-(4-hydroxyphenyl)-4-methylpentane

Database identifiers

CAS: 89765-31-1
PubChem CID: 10980903
DTXSID: DTXSID90450656

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 391

Related reactions

9 records

New reaction record

HRID 214554As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 303230As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 358553As productuspto-grants-1991_03

HRID 543272As productuspto-grants-1987_04

HRID 543273As reactantuspto-grants-1987_04

HRID 619994As productuspto-grants-1989_04

HRID 1194406As productuspto-grants-1989_03

HRID 1194407As reactantuspto-grants-1989_03

Compound notes

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