2-(2-cyclohex-3-en-1-ylphenyl)acetic acid

C14H16O2 — CID 171363878

IUPAC2-(2-cyclohex-3-en-1-ylphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1C1CC=CCC1
InChIInChI=1S/C14H16O2/c15-14(16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,15,16)
InChIKeyXKQWVLUCYWXBMX-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.14
Rot. Bonds3

About 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid

2-(2-cyclohex-3-en-1-ylphenyl)acetic acid (PubChem CID 171363878) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohex-3-en-1-ylphenyl)acetic acid
PubChem CID171363878
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(2-cyclohex-3-en-1-ylphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1C1CC=CCC1
InChIInChI=1S/C14H16O2/c15-14(16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,15,16)
InChIKeyXKQWVLUCYWXBMX-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid?
The IUPAC name of 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid (CID 171363878) is 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid.
What is the SMILES notation for 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid?
The canonical SMILES for 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid is O=C(O)Cc1ccccc1C1CC=CCC1.
What is the InChIKey of 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid?
The InChIKey is XKQWVLUCYWXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-14(16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,15,16).
What are the key properties of 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid?
2-(2-cyclohex-3-en-1-ylphenyl)acetic acid has a molecular weight of 216.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-3-en-1-ylphenyl)acetic acid is sourced from PubChem (CID 171363878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).