2-(4-cycloheptylphenyl)acetic acid

C15H20O2 — CID 21484425

IUPAC2-(4-cycloheptylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C15H20O2/c16-15(17)11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,16,17)
InChIKeyQPFVHERKPTYNIR-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-cycloheptylphenyl)acetic acid

2-(4-cycloheptylphenyl)acetic acid (PubChem CID 21484425) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(4-cycloheptylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-cycloheptylphenyl)acetic acid
PubChem CID21484425
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(4-cycloheptylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C15H20O2/c16-15(17)11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,16,17)
InChIKeyQPFVHERKPTYNIR-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
2-[5-(4-cyclohexylphenyl)furan-2-yl]acetic acid
CID 82368596
4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
2-[4-[2-(4-cyclohexylphenyl)-3-[4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]phenyl]cyclopropyl]phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 162164482
2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid
CID 21199294
5-(4-cyclohexylphenyl)-3-methylpentanoic acid
CID 63536343
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680
2-(4-cyclohexylphenyl)-1-morpholin-4-ylethanone
CID 110767551
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
(4-cyclohexylphenyl)-dideuteriomethanol
CID 162410552
cyclohexanamine;2-phenylacetic acid
CID 70192288

Frequently Asked Questions

What is the IUPAC name of 2-(4-cycloheptylphenyl)acetic acid?
The IUPAC name of 2-(4-cycloheptylphenyl)acetic acid (CID 21484425) is 2-(4-cycloheptylphenyl)acetic acid.
What is the SMILES notation for 2-(4-cycloheptylphenyl)acetic acid?
The canonical SMILES for 2-(4-cycloheptylphenyl)acetic acid is O=C(O)Cc1ccc(C2CCCCCC2)cc1.
What is the InChIKey of 2-(4-cycloheptylphenyl)acetic acid?
The InChIKey is QPFVHERKPTYNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-15(17)11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,16,17).
What are the key properties of 2-(4-cycloheptylphenyl)acetic acid?
2-(4-cycloheptylphenyl)acetic acid has a molecular weight of 232.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cycloheptylphenyl)acetic acid is sourced from PubChem (CID 21484425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).