2-(4-propoxyphenyl)benzoic acid

C16H16O3 — CID 62802761

IUPAC2-(4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H16O3/c1-2-11-19-13-9-7-12(8-10-13)14-5-3-4-6-15(14)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeySQTNVZPYJKVLHY-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.84
Rot. Bonds5

About 2-(4-propoxyphenyl)benzoic acid

2-(4-propoxyphenyl)benzoic acid (PubChem CID 62802761) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-(4-propoxyphenyl)benzoic acid
PubChem CID62802761
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(4-propoxyphenyl)benzoic acid
SMILESCCCOc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H16O3/c1-2-11-19-13-9-7-12(8-10-13)14-5-3-4-6-15(14)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeySQTNVZPYJKVLHY-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-decoxyphenyl)benzoic acid
CID 19898368
2-(4-butoxyphenyl)-4-hexoxybenzoic acid
CID 70214370
4-[2-(4-octoxyphenyl)phenyl]benzoic acid
CID 131719004
(4-propoxyphenyl) 2-[4-(1-ethoxyethyl)phenyl]benzoate
CID 139681055
5-dodecoxy-2-phenylbenzoic acid
CID 23289015
2-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]benzoic acid
CID 18795158
2-[4-(2-methoxyethyl)phenyl]benzoic acid
CID 61025269
6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
CID 82168270
2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]-4-propoxybenzoic acid
CID 172812929
N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 62796087
2-(4-octylphenyl)benzoic acid
CID 23035037
4-(2-ethoxyethoxy)-2-phenylbenzoic acid
CID 70387359

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)benzoic acid?
The IUPAC name of 2-(4-propoxyphenyl)benzoic acid (CID 62802761) is 2-(4-propoxyphenyl)benzoic acid.
What is the SMILES notation for 2-(4-propoxyphenyl)benzoic acid?
The canonical SMILES for 2-(4-propoxyphenyl)benzoic acid is CCCOc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)benzoic acid?
The InChIKey is SQTNVZPYJKVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-11-19-13-9-7-12(8-10-13)14-5-3-4-6-15(14)16(17)18/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-(4-propoxyphenyl)benzoic acid?
2-(4-propoxyphenyl)benzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)benzoic acid is sourced from PubChem (CID 62802761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).