2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid

C17H24O2 — CID 82932329

IUPAC2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
SMILESCc1cc(C)cc(C(C(=O)O)C2CCCCCC2)c1
InChIInChI=1S/C17H24O2/c1-12-9-13(2)11-15(10-12)16(17(18)19)14-7-5-3-4-6-8-14/h9-11,14,16H,3-8H2,1-2H3,(H,18,19)
InChIKeyJDPRVCAAGMQYCR-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.44
Rot. Bonds3

About 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid

2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid (PubChem CID 82932329) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
PubChem CID82932329
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
SMILESCc1cc(C)cc(C(C(=O)O)C2CCCCCC2)c1
InChIInChI=1S/C17H24O2/c1-12-9-13(2)11-15(10-12)16(17(18)19)14-7-5-3-4-6-8-14/h9-11,14,16H,3-8H2,1-2H3,(H,18,19)
InChIKeyJDPRVCAAGMQYCR-UHFFFAOYSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-5-methylphenyl)-2-cyclopropylacetic acid
CID 175668595
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155
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CID 82484792
2-(3-aminophenyl)-2-cyclobutylacetic acid
CID 166080335
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
(2S)-2-(4-bromo-3-chlorophenyl)-2-cyclopentylacetic acid
CID 125466613
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
2-(2-amino-6-methylpyrimidin-4-yl)-2-cyclopentylacetic acid
CID 83858468
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544
N-[1-(3,5-dimethylphenyl)ethyl]cyclopentanamine
CID 81300917

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid (CID 82932329) is 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid is Cc1cc(C)cc(C(C(=O)O)C2CCCCCC2)c1.
What is the InChIKey of 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid?
The InChIKey is JDPRVCAAGMQYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-9-13(2)11-15(10-12)16(17(18)19)14-7-5-3-4-6-8-14/h9-11,14,16H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid?
2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid has a molecular weight of 260.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 82932329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).