2-[3-(cyclohexen-1-yl)phenyl]acetic acid

C14H16O2 — CID 115029618

IUPAC2-[3-(cyclohexen-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C2=CCCCC2)c1
InChIInChI=1S/C14H16O2/c15-14(16)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10H2,(H,15,16)
InChIKeyDUEIYZGUUIPEJA-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.27
Rot. Bonds3

About 2-[3-(cyclohexen-1-yl)phenyl]acetic acid

2-[3-(cyclohexen-1-yl)phenyl]acetic acid (PubChem CID 115029618) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-(cyclohexen-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclohexen-1-yl)phenyl]acetic acid
PubChem CID115029618
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-[3-(cyclohexen-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C2=CCCCC2)c1
InChIInChI=1S/C14H16O2/c15-14(16)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10H2,(H,15,16)
InChIKeyDUEIYZGUUIPEJA-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexen-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(cyclohexen-1-yl)phenyl]acetic acid (CID 115029618) is 2-[3-(cyclohexen-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclohexen-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(cyclohexen-1-yl)phenyl]acetic acid is O=C(O)Cc1cccc(C2=CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexen-1-yl)phenyl]acetic acid?
The InChIKey is DUEIYZGUUIPEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-14(16)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10H2,(H,15,16).
What are the key properties of 2-[3-(cyclohexen-1-yl)phenyl]acetic acid?
2-[3-(cyclohexen-1-yl)phenyl]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexen-1-yl)phenyl]acetic acid is sourced from PubChem (CID 115029618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).