2-[3-(4-ethylphenyl)propyl]benzoic acid

C18H20O2 — CID 54190644

IUPAC2-[3-(4-ethylphenyl)propyl]benzoic acid
SMILESCCc1ccc(CCCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H20O2/c1-2-14-10-12-15(13-11-14)6-5-8-16-7-3-4-9-17(16)18(19)20/h3-4,7,9-13H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyPIGKRSCANXCXMJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.12
Rot. Bonds6

About 2-[3-(4-ethylphenyl)propyl]benzoic acid

2-[3-(4-ethylphenyl)propyl]benzoic acid (PubChem CID 54190644) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)propyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)propyl]benzoic acid
PubChem CID54190644
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-[3-(4-ethylphenyl)propyl]benzoic acid
SMILESCCc1ccc(CCCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C18H20O2/c1-2-14-10-12-15(13-11-14)6-5-8-16-7-3-4-9-17(16)18(19)20/h3-4,7,9-13H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyPIGKRSCANXCXMJ-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2-butylbenzoic acid
CID 174819524
azane;2-octylbenzoic acid
CID 70171834
CID 159889030
CID 159889030
2-ethylbenzoic acid;tungsten
CID 23518478
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
bis(1,4-dioctylbenzene);phthalic acid
CID 174721036
2-(3-fluoropropyl)benzoic acid
CID 83856062
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587
fluorobenzene;2-pentylbenzoic acid
CID 174772828
2-[2-(4-decoxyphenyl)ethyl]benzoic acid
CID 67616913
2-(5-methylhexyl)benzoic acid
CID 122392323

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)propyl]benzoic acid?
The IUPAC name of 2-[3-(4-ethylphenyl)propyl]benzoic acid (CID 54190644) is 2-[3-(4-ethylphenyl)propyl]benzoic acid.
What is the SMILES notation for 2-[3-(4-ethylphenyl)propyl]benzoic acid?
The canonical SMILES for 2-[3-(4-ethylphenyl)propyl]benzoic acid is CCc1ccc(CCCc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)propyl]benzoic acid?
The InChIKey is PIGKRSCANXCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-14-10-12-15(13-11-14)6-5-8-16-7-3-4-9-17(16)18(19)20/h3-4,7,9-13H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 2-[3-(4-ethylphenyl)propyl]benzoic acid?
2-[3-(4-ethylphenyl)propyl]benzoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)propyl]benzoic acid is sourced from PubChem (CID 54190644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).