2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid

C14H16O2 — CID 57358717

IUPAC2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid
SMILESCc1ccc(CC2=C(C(=O)O)CCC2)cc1
InChIInChI=1S/C14H16O2/c1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14(15)16/h5-8H,2-4,9H2,1H3,(H,15,16)
InChIKeyRFWMTWOLHLFCAW-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.10
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid

2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid (PubChem CID 57358717) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid
PubChem CID57358717
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid
SMILESCc1ccc(CC2=C(C(=O)O)CCC2)cc1
InChIInChI=1S/C14H16O2/c1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14(15)16/h5-8H,2-4,9H2,1H3,(H,15,16)
InChIKeyRFWMTWOLHLFCAW-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid (CID 57358717) is 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid is Cc1ccc(CC2=C(C(=O)O)CCC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid?
The InChIKey is RFWMTWOLHLFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10-5-7-11(8-6-10)9-12-3-2-4-13(12)14(15)16/h5-8H,2-4,9H2,1H3,(H,15,16).
What are the key properties of 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid?
2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 57358717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).