2-[4-(4-ethoxyphenyl)phenyl]acetic acid

C16H16O3 — CID 1394503

IUPAC2-[4-(4-ethoxyphenyl)phenyl]acetic acid
SMILESCCOc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C16H16O3/c1-2-19-15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyRQUYKJGKNDOGFV-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.38
Rot. Bonds5

About 2-[4-(4-ethoxyphenyl)phenyl]acetic acid

2-[4-(4-ethoxyphenyl)phenyl]acetic acid (PubChem CID 1394503) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)phenyl]acetic acid
PubChem CID1394503
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[4-(4-ethoxyphenyl)phenyl]acetic acid
SMILESCCOc1ccc(-c2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C16H16O3/c1-2-19-15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyRQUYKJGKNDOGFV-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 43309389
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
2-[3-[4-[3-(4-ethoxyphenyl)prop-2-ynoxy]phenyl]phenyl]acetic acid
CID 59219336
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 7704381
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
2-[4-[(2-bromo-4-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 22687808
4-(4-ethoxyphenyl)benzamide
CID 163572533
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
2-[(4-ethoxyphenyl)methylsulfonyl]acetic acid
CID 46705823
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]acetic acid (CID 1394503) is 2-[4-(4-ethoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)phenyl]acetic acid is CCOc1ccc(-c2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)phenyl]acetic acid?
The InChIKey is RQUYKJGKNDOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-19-15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-16(17)18/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(4-ethoxyphenyl)phenyl]acetic acid?
2-[4-(4-ethoxyphenyl)phenyl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 1394503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).