2-[4-(2-methoxyethyl)phenyl]benzoic acid

C16H16O3 — CID 61025269

IUPAC2-[4-(2-methoxyethyl)phenyl]benzoic acid
SMILESCOCCc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H16O3/c1-19-11-10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyQBJIYCZDJGFBME-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.24
Rot. Bonds5

About 2-[4-(2-methoxyethyl)phenyl]benzoic acid

2-[4-(2-methoxyethyl)phenyl]benzoic acid (PubChem CID 61025269) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)phenyl]benzoic acid
PubChem CID61025269
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[4-(2-methoxyethyl)phenyl]benzoic acid
SMILESCOCCc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H16O3/c1-19-11-10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)16(17)18/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyQBJIYCZDJGFBME-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-octylphenyl)benzoic acid
CID 23035037
2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid
CID 162669252
2-[4-(2-methoxyethyl)phenyl]aniline
CID 61025124
[4-(2-carboxyphenyl)phenyl]methoxy-[5-(2-methoxyethoxy)pentyl]-oxophosphanium
CID 67913207
3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid
CID 63797186
2-(4-propoxyphenyl)benzoic acid
CID 62802761
2-methoxyethylbenzene
CID 19089
2-[4-[[[2-(4-methoxyphenyl)acetyl]-[3-(4-methoxyphenyl)propyl]amino]methyl]phenyl]benzoic acid
CID 66774846
3-phenyl-2-(4-propylphenyl)benzoic acid
CID 175832931
2-[4-(but-3-enoxymethyl)phenyl]benzoic acid
CID 63074103
2-[4-(but-2-enoxymethyl)phenyl]benzoic acid
CID 76983543
acetylene;2-phenylbenzoic acid
CID 67726329

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)phenyl]benzoic acid?
The IUPAC name of 2-[4-(2-methoxyethyl)phenyl]benzoic acid (CID 61025269) is 2-[4-(2-methoxyethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[4-(2-methoxyethyl)phenyl]benzoic acid?
The canonical SMILES for 2-[4-(2-methoxyethyl)phenyl]benzoic acid is COCCc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-(2-methoxyethyl)phenyl]benzoic acid?
The InChIKey is QBJIYCZDJGFBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-19-11-10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)16(17)18/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-methoxyethyl)phenyl]benzoic acid?
2-[4-(2-methoxyethyl)phenyl]benzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)phenyl]benzoic acid is sourced from PubChem (CID 61025269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).