2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid

C17H18O4 — CID 103378054

IUPAC2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid
SMILESO=C(O)C(OCCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O4/c18-11-4-12-21-16(17(19)20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,16,18H,4,11-12H2,(H,19,20)
InChIKeySMCCNKHWYPXSCZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.88
Rot. Bonds7

About 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid

2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid (PubChem CID 103378054) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid
PubChem CID103378054
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid
SMILESO=C(O)C(OCCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O4/c18-11-4-12-21-16(17(19)20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,16,18H,4,11-12H2,(H,19,20)
InChIKeySMCCNKHWYPXSCZ-UHFFFAOYSA-N
XLogP2.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83223895
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224161
2-(2,6-dimethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224254
2-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224437
2-(3-hydroxypropoxy)-2-(3-propoxyphenyl)acetic acid
CID 103377987
2-(3-hydroxypropoxy)-2-(2,4,5-trimethylphenyl)acetic acid
CID 114078427
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
2-(2-hydroxyethoxy)-2-(2-methylphenyl)acetic acid
CID 83223513
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid?
The IUPAC name of 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid (CID 103378054) is 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid?
The canonical SMILES for 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid is O=C(O)C(OCCCO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid?
The InChIKey is SMCCNKHWYPXSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c18-11-4-12-21-16(17(19)20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,16,18H,4,11-12H2,(H,19,20).
What are the key properties of 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid?
2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropoxy)-2-(4-phenylphenyl)acetic acid is sourced from PubChem (CID 103378054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).