3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid

C18H20O5 — CID 175603484

IUPAC3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
SMILESO=C(O)CCc1cccc(O)c1.O=C(O)CCc1ccccc1
InChIInChI=1S/C9H10O3.C9H10O2/c10-8-3-1-2-7(6-8)4-5-9(11)12;10-9(11)7-6-8-4-2-1-3-5-8/h1-3,6,10H,4-5H2,(H,11,12);1-5H,6-7H2,(H,10,11)
InChIKeyVUYKAPXJYQKUOR-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.11
Rot. Bonds6

About 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid

3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid (PubChem CID 175603484) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
PubChem CID175603484
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
SMILESO=C(O)CCc1cccc(O)c1.O=C(O)CCc1ccccc1
InChIInChI=1S/C9H10O3.C9H10O2/c10-8-3-1-2-7(6-8)4-5-9(11)12;10-9(11)7-6-8-4-2-1-3-5-8/h1-3,6,10H,4-5H2,(H,11,12);1-5H,6-7H2,(H,10,11)
InChIKeyVUYKAPXJYQKUOR-UHFFFAOYSA-N
XLogP3.11
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic 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

lanthanum;3-phenylpropanoic acid
CID 174887955
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-(3-hydroxyphenyl)-1-(4-phenylphenyl)propan-1-one
CID 58190197
(2R)-2-[3-(3-hydroxyphenyl)propanoylamino]pentanedioic acid
CID 25138178
oxane;3-phenylpropanoic acid
CID 175586375
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
1-(3-hydroxyphenyl)-12-phenyldodecan-2-one
CID 86118623
benzoyl iodide;3-phenylpropanoic acid
CID 143765725
phenol;4-phenylbutan-2-one
CID 160537429
phenol;3-propylphenol
CID 66960022
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
methanol;3-phenylpropanoic acid;prop-1-yne
CID 167587134

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid (CID 175603484) is 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid is O=C(O)CCc1cccc(O)c1.O=C(O)CCc1ccccc1.
What is the InChIKey of 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid?
The InChIKey is VUYKAPXJYQKUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C9H10O2/c10-8-3-1-2-7(6-8)4-5-9(11)12;10-9(11)7-6-8-4-2-1-3-5-8/h1-3,6,10H,4-5H2,(H,11,12);1-5H,6-7H2,(H,10,11).
What are the key properties of 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid?
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid has a molecular weight of 316.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid is sourced from PubChem (CID 175603484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).