4-[(1S)-1-phenylethoxy]benzoic acid

C15H14O3 — CID 28604848

IUPAC4-[(1S)-1-phenylethoxy]benzoic acid
SMILESC[C@H](Oc1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C15H14O3/c1-11(12-5-3-2-4-6-12)18-14-9-7-13(8-10-14)15(16)17/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKeyXOSZAPCYWBTAOA-NSHDSACASA-N
MW242.27 g/mol
LogP3.52
Rot. Bonds4

About 4-[(1S)-1-phenylethoxy]benzoic acid

4-[(1S)-1-phenylethoxy]benzoic acid (PubChem CID 28604848) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[(1S)-1-phenylethoxy]benzoic acid.

Molecular Properties

Compound Name4-[(1S)-1-phenylethoxy]benzoic acid
PubChem CID28604848
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-[(1S)-1-phenylethoxy]benzoic acid
SMILESC[C@H](Oc1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C15H14O3/c1-11(12-5-3-2-4-6-12)18-14-9-7-13(8-10-14)15(16)17/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKeyXOSZAPCYWBTAOA-NSHDSACASA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1S)-1-phenylethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
2-hydroxy-1-[4-(1-phenylethoxy)phenyl]ethanone
CID 19828168
4-[(1S)-1-phenylethoxy]carbonylbenzoic acid
CID 139796001
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
(2S)-1-[4-[(1S)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 99834603
(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 99834604
4-butan-2-yloxybenzoic acid
CID 5132695
4-[1-(1H-benzimidazol-2-yl)ethoxy]benzoic acid
CID 69478417
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
sodium;hydride;N-hydroxy-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]acetamide
CID 173366531
2-[hydroxy-[1-[4-(1-phenylethoxy)phenyl]ethyl]amino]acetamide
CID 88651998
azanium N-hydroxy-3-[4-(1-phenylethoxy)phenyl]butanamide
CID 19868724

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-phenylethoxy]benzoic acid?
The IUPAC name of 4-[(1S)-1-phenylethoxy]benzoic acid (CID 28604848) is 4-[(1S)-1-phenylethoxy]benzoic acid.
What is the SMILES notation for 4-[(1S)-1-phenylethoxy]benzoic acid?
The canonical SMILES for 4-[(1S)-1-phenylethoxy]benzoic acid is C[C@H](Oc1ccc(C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 4-[(1S)-1-phenylethoxy]benzoic acid?
The InChIKey is XOSZAPCYWBTAOA-NSHDSACASA-N. The full InChI is InChI=1S/C15H14O3/c1-11(12-5-3-2-4-6-12)18-14-9-7-13(8-10-14)15(16)17/h2-11H,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 4-[(1S)-1-phenylethoxy]benzoic acid?
4-[(1S)-1-phenylethoxy]benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-phenylethoxy]benzoic acid is sourced from PubChem (CID 28604848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).