2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid

C17H16O5 — CID 146474488

IUPAC2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid
SMILESCOc1cccc([C@@H](C)OC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16O5/c1-11(12-6-5-7-13(10-12)21-2)22-17(20)15-9-4-3-8-14(15)16(18)19/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeySNLQZVZFEBEIBQ-LLVKDONJSA-N
MW300.31 g/mol
LogP3.31
Rot. Bonds5

About 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid

2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid (PubChem CID 146474488) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid.

Molecular Properties

Compound Name2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid
PubChem CID146474488
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid
SMILESCOc1cccc([C@@H](C)OC(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16O5/c1-11(12-6-5-7-13(10-12)21-2)22-17(20)15-9-4-3-8-14(15)16(18)19/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeySNLQZVZFEBEIBQ-LLVKDONJSA-N
XLogP3.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic 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

2-[1-[3-[ethyl(methyl)carbamoyl]oxyphenyl]ethoxycarbonyl]benzoic acid
CID 146474491
2-(3-methoxyphenyl)-3-oxo-3-(1-phenylethoxy)propanoic acid
CID 129239076
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid
CID 7472006
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate
CID 97060219
1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
CID 86784896
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
CID 24826621
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
2-[(1S,2R)-2-(methylamino)-1-phenylpropoxy]carbonylbenzoic acid
CID 89434507

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid?
The IUPAC name of 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid (CID 146474488) is 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid.
What is the SMILES notation for 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid?
The canonical SMILES for 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid is COc1cccc([C@@H](C)OC(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid?
The InChIKey is SNLQZVZFEBEIBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16O5/c1-11(12-6-5-7-13(10-12)21-2)22-17(20)15-9-4-3-8-14(15)16(18)19/h3-11H,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid?
2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid is sourced from PubChem (CID 146474488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).