6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid

C20H18Cl2O2 — CID 44612113

IUPAC6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC(c2ccccc2)CC=C1C(=O)O
InChIInChI=1S/C20H18Cl2O2/c1-20(15-8-10-17(21)18(22)11-15)12-14(7-9-16(20)19(23)24)13-5-3-2-4-6-13/h2-6,8-11,14H,7,12H2,1H3,(H,23,24)
InChIKeySRIDZXCTLWJVRQ-UHFFFAOYSA-N
MW361.27 g/mol
LogP5.84
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid

6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid (PubChem CID 44612113) has the molecular formula C20H18Cl2O2 and a molecular weight of 361.27 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid
PubChem CID44612113
Molecular FormulaC20H18Cl2O2
Molecular Weight361.27 g/mol
Exact Mass360.07
IUPAC Name6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC(c2ccccc2)CC=C1C(=O)O
InChIInChI=1S/C20H18Cl2O2/c1-20(15-8-10-17(21)18(22)11-15)12-14(7-9-16(20)19(23)24)13-5-3-2-4-6-13/h2-6,8-11,14H,7,12H2,1H3,(H,23,24)
InChIKeySRIDZXCTLWJVRQ-UHFFFAOYSA-N
XLogP5.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.27
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid?
The IUPAC name of 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid (CID 44612113) is 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid?
The canonical SMILES for 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid is CC1(c2ccc(Cl)c(Cl)c2)CC(c2ccccc2)CC=C1C(=O)O.
What is the InChIKey of 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid?
The InChIKey is SRIDZXCTLWJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2O2/c1-20(15-8-10-17(21)18(22)11-15)12-14(7-9-16(20)19(23)24)13-5-3-2-4-6-13/h2-6,8-11,14H,7,12H2,1H3,(H,23,24).
What are the key properties of 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid?
6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid has a molecular weight of 361.27 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-6-methyl-4-phenylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 44612113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).