2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid

C17H18O3 — CID 66707549

IUPAC2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid
SMILESCCc1cc(-c2ccccc2)cc(OC)c1CC(=O)O
InChIInChI=1S/C17H18O3/c1-3-12-9-14(13-7-5-4-6-8-13)10-16(20-2)15(12)11-17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyDRFUJGJWYDVOFF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.55
Rot. Bonds5

About 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid

2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid (PubChem CID 66707549) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid
PubChem CID66707549
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid
SMILESCCc1cc(-c2ccccc2)cc(OC)c1CC(=O)O
InChIInChI=1S/C17H18O3/c1-3-12-9-14(13-7-5-4-6-8-13)10-16(20-2)15(12)11-17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyDRFUJGJWYDVOFF-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid
CID 171024915
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
CID 174526081
2-[3-(4-methoxy-3-phenylmethoxyphenyl)phenyl]acetic acid
CID 22930517
2-[7-methoxy-2-phenyl-5-(2H-tetrazol-5-yl)-1-benzofuran-3-yl]acetic acid
CID 139029887
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
1,4-diethyl-2-methoxynaphthalene
CID 135177818
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid?
The IUPAC name of 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid (CID 66707549) is 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid?
The canonical SMILES for 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid is CCc1cc(-c2ccccc2)cc(OC)c1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid?
The InChIKey is DRFUJGJWYDVOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-12-9-14(13-7-5-4-6-8-13)10-16(20-2)15(12)11-17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid?
2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid has a molecular weight of 270.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methoxy-4-phenylphenyl)acetic acid is sourced from PubChem (CID 66707549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).