2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid

C18H20O3 — CID 60793492

IUPAC2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
SMILESCOc1ccc(CC(Cc2ccccc2C)C(=O)O)cc1
InChIInChI=1S/C18H20O3/c1-13-5-3-4-6-15(13)12-16(18(19)20)11-14-7-9-17(21-2)10-8-14/h3-10,16H,11-12H2,1-2H3,(H,19,20)
InChIKeyDAPOGZIKXGYOQV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.49
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid

2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid (PubChem CID 60793492) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
PubChem CID60793492
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid
SMILESCOc1ccc(CC(Cc2ccccc2C)C(=O)O)cc1
InChIInChI=1S/C18H20O3/c1-13-5-3-4-6-15(13)12-16(18(19)20)11-14-7-9-17(21-2)10-8-14/h3-10,16H,11-12H2,1-2H3,(H,19,20)
InChIKeyDAPOGZIKXGYOQV-UHFFFAOYSA-N
XLogP3.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-iodophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 65477849
(2S)-2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoic acid
CID 88752303
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418162
(2S)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid;(2R)-2-benzyl-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 157441521
2-[(4-methoxyphenyl)methyl]-4-methylpent-4-enoic acid
CID 79418636
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
2-[(2-methoxy-3-methylphenyl)methyl]butanoic acid
CID 169488668
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
2-[(2-bromophenyl)methyl]-3-(3-methoxyphenyl)propanoic acid
CID 60793232
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid (CID 60793492) is 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid is COc1ccc(CC(Cc2ccccc2C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid?
The InChIKey is DAPOGZIKXGYOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13-5-3-4-6-15(13)12-16(18(19)20)11-14-7-9-17(21-2)10-8-14/h3-10,16H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid?
2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 60793492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).