2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid

C16H16O3 — CID 69228512

IUPAC2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
SMILESCOc1cccc(CC(=O)O)c1-c1ccc(C)cc1
InChIInChI=1S/C16H16O3/c1-11-6-8-12(9-7-11)16-13(10-15(17)18)4-3-5-14(16)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyCPPBGJRPIAJAPL-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.30
Rot. Bonds4

About 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid

2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid (PubChem CID 69228512) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
PubChem CID69228512
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
SMILESCOc1cccc(CC(=O)O)c1-c1ccc(C)cc1
InChIInChI=1S/C16H16O3/c1-11-6-8-12(9-7-11)16-13(10-15(17)18)4-3-5-14(16)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyCPPBGJRPIAJAPL-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
1,5-bis[2-(4-hydroxyphenyl)-3-methoxyphenyl]pentane-2,4-dione
CID 23093450
methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
CID 12732376
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
2-(3-methoxy-2-phenylphenyl)acetaldehyde
CID 88653150
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
2-(7-methoxy-2-methyl-3H-inden-1-yl)acetic acid
CID 22007114
1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one
CID 68749359
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid (CID 69228512) is 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid is COc1cccc(CC(=O)O)c1-c1ccc(C)cc1.
What is the InChIKey of 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid?
The InChIKey is CPPBGJRPIAJAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-6-8-12(9-7-11)16-13(10-15(17)18)4-3-5-14(16)19-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid?
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid is sourced from PubChem (CID 69228512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).