4-(cyclohexen-1-yl)-3-ethylbenzoic acid

C15H18O2 — CID 59316804

IUPAC4-(cyclohexen-1-yl)-3-ethylbenzoic acid
SMILESCCc1cc(C(=O)O)ccc1C1=CCCCC1
InChIInChI=1S/C15H18O2/c1-2-11-10-13(15(16)17)8-9-14(11)12-6-4-3-5-7-12/h6,8-10H,2-5,7H2,1H3,(H,16,17)
InChIKeyRGROENIAPQNTQC-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.90
Rot. Bonds3

About 4-(cyclohexen-1-yl)-3-ethylbenzoic acid

4-(cyclohexen-1-yl)-3-ethylbenzoic acid (PubChem CID 59316804) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-3-ethylbenzoic acid.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-3-ethylbenzoic acid
PubChem CID59316804
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4-(cyclohexen-1-yl)-3-ethylbenzoic acid
SMILESCCc1cc(C(=O)O)ccc1C1=CCCCC1
InChIInChI=1S/C15H18O2/c1-2-11-10-13(15(16)17)8-9-14(11)12-6-4-3-5-7-12/h6,8-10H,2-5,7H2,1H3,(H,16,17)
InChIKeyRGROENIAPQNTQC-UHFFFAOYSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-3-ethylbenzoic acid?
The IUPAC name of 4-(cyclohexen-1-yl)-3-ethylbenzoic acid (CID 59316804) is 4-(cyclohexen-1-yl)-3-ethylbenzoic acid.
What is the SMILES notation for 4-(cyclohexen-1-yl)-3-ethylbenzoic acid?
The canonical SMILES for 4-(cyclohexen-1-yl)-3-ethylbenzoic acid is CCc1cc(C(=O)O)ccc1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-3-ethylbenzoic acid?
The InChIKey is RGROENIAPQNTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-11-10-13(15(16)17)8-9-14(11)12-6-4-3-5-7-12/h6,8-10H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 4-(cyclohexen-1-yl)-3-ethylbenzoic acid?
4-(cyclohexen-1-yl)-3-ethylbenzoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-3-ethylbenzoic acid is sourced from PubChem (CID 59316804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).