2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid

C15H20O4 — CID 45116515

IUPAC2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid
SMILESCCOC(=O)C(C)(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H20O4/c1-4-19-14(18)15(2,3)10-12-7-5-11(6-8-12)9-13(16)17/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyRVIDTMNHNAFFGO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.45
Rot. Bonds6

About 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid

2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid (PubChem CID 45116515) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid
PubChem CID45116515
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid
SMILESCCOC(=O)C(C)(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H20O4/c1-4-19-14(18)15(2,3)10-12-7-5-11(6-8-12)9-13(16)17/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyRVIDTMNHNAFFGO-UHFFFAOYSA-N
XLogP2.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate
CID 4114055
ethyl 3-[4-(2-bromoethyl)phenyl]-2,2-dimethylpropanoate
CID 19957550
methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate
CID 125467449
2-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfanylphenyl]acetic acid
CID 82365864
diethyl 2-[[4-(2-ethoxy-2-oxoethyl)phenyl]methyl]-2-methylpropanedioate
CID 10498038
2-[4-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]acetic acid;N-propan-2-ylpropan-2-amine
CID 170167233
ethyl 3-[4-(4-acetylphenyl)sulfanylphenyl]-2,2-dimethylpropanoate
CID 59753140
ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
CID 129262497
3-ethoxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 103973782
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
ethyl 5-[4-(5-ethoxy-4,4-dimethyl-5-oxopentyl)phenyl]-2,2-dimethylpentanoate
CID 15721442
2-(4-aminophenyl)acetic acid;propanoic acid
CID 175478961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid (CID 45116515) is 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid is CCOC(=O)C(C)(C)Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid?
The InChIKey is RVIDTMNHNAFFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-19-14(18)15(2,3)10-12-7-5-11(6-8-12)9-13(16)17/h5-8H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid?
2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid is sourced from PubChem (CID 45116515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).