2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid

C17H18O3 — CID 82023855

IUPAC2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
SMILESCCOc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-20-15-10-8-14(9-11-15)16(17(18)19)13-6-4-12(2)5-7-13/h4-11,16H,3H2,1-2H3,(H,18,19)
InChIKeyHIFCIBVSQFTHGW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid

2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid (PubChem CID 82023855) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
PubChem CID82023855
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
SMILESCCOc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-20-15-10-8-14(9-11-15)16(17(18)19)13-6-4-12(2)5-7-13/h4-11,16H,3H2,1-2H3,(H,18,19)
InChIKeyHIFCIBVSQFTHGW-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
ethyl 2-(4-heptoxyphenyl)-2-(4-methylphenyl)acetate
CID 54086655
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
[(4-ethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194292
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 95181177
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 50929640
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid (CID 82023855) is 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid is CCOc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid?
The InChIKey is HIFCIBVSQFTHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-20-15-10-8-14(9-11-15)16(17(18)19)13-6-4-12(2)5-7-13/h4-11,16H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid?
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid has a molecular weight of 270.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 82023855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).