6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid

C14H14O2 — CID 154129475

IUPAC6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESCc1ccc(C2C=CC=CC2C(=O)O)cc1
InChIInChI=1S/C14H14O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9,12-13H,1H3,(H,15,16)
InChIKeyAWGKSYUGXAPGBW-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.91
Rot. Bonds2

About 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid

6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 154129475) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID154129475
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESCc1ccc(C2C=CC=CC2C(=O)O)cc1
InChIInChI=1S/C14H14O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9,12-13H,1H3,(H,15,16)
InChIKeyAWGKSYUGXAPGBW-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbonic acid;1,4-xylene
CID 89415214
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CID 23423017
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CID 15225103
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
CID 15327731
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967
acetic acid;4-methylbenzenethiol
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(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
2-(4-methylphenyl)cyclopent-3-ene-1-carbonyl chloride
CID 139637423
3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid
CID 82072113
2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 19100057
(2S,3S)-2-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 10400920
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid (CID 154129475) is 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid is Cc1ccc(C2C=CC=CC2C(=O)O)cc1.
What is the InChIKey of 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is AWGKSYUGXAPGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9,12-13H,1H3,(H,15,16).
What are the key properties of 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid?
6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 154129475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).