2,2-bis(3-methoxyphenyl)acetic acid

C16H16O4 — CID 67016131

IUPAC2,2-bis(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)c2cccc(OC)c2)c1
InChIInChI=1S/C16H16O4/c1-19-13-7-3-5-11(9-13)15(16(17)18)12-6-4-8-14(10-12)20-2/h3-10,15H,1-2H3,(H,17,18)
InChIKeyLNNYKIKBFLEFRG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.92
Rot. Bonds5

About 2,2-bis(3-methoxyphenyl)acetic acid

2,2-bis(3-methoxyphenyl)acetic acid (PubChem CID 67016131) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,2-bis(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2,2-bis(3-methoxyphenyl)acetic acid
PubChem CID67016131
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2,2-bis(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)c2cccc(OC)c2)c1
InChIInChI=1S/C16H16O4/c1-19-13-7-3-5-11(9-13)15(16(17)18)12-6-4-8-14(10-12)20-2/h3-10,15H,1-2H3,(H,17,18)
InChIKeyLNNYKIKBFLEFRG-UHFFFAOYSA-N
XLogP2.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 173039217
CID 173039217
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-amino-3-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535
2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid
CID 129239099
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-methoxyphenyl)acetic acid?
The IUPAC name of 2,2-bis(3-methoxyphenyl)acetic acid (CID 67016131) is 2,2-bis(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2,2-bis(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2,2-bis(3-methoxyphenyl)acetic acid is COc1cccc(C(C(=O)O)c2cccc(OC)c2)c1.
What is the InChIKey of 2,2-bis(3-methoxyphenyl)acetic acid?
The InChIKey is LNNYKIKBFLEFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-13-7-3-5-11(9-13)15(16(17)18)12-6-4-8-14(10-12)20-2/h3-10,15H,1-2H3,(H,17,18).
What are the key properties of 2,2-bis(3-methoxyphenyl)acetic acid?
2,2-bis(3-methoxyphenyl)acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 67016131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).