3-(4-hydroxyphenyl)propanoic acid;methane

C10H14O3 — CID 70425679

IUPAC3-(4-hydroxyphenyl)propanoic acid;methane
SMILESC.O=C(O)CCc1ccc(O)cc1
InChIInChI=1S/C9H10O3.CH4/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-2,4-5,10H,3,6H2,(H,11,12);1H4
InChIKeyQYGAAIWRHVRCJJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.05
Rot. Bonds3

About 3-(4-hydroxyphenyl)propanoic acid;methane

3-(4-hydroxyphenyl)propanoic acid;methane (PubChem CID 70425679) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)propanoic acid;methane.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)propanoic acid;methane
PubChem CID70425679
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(4-hydroxyphenyl)propanoic acid;methane
SMILESC.O=C(O)CCc1ccc(O)cc1
InChIInChI=1S/C9H10O3.CH4/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-2,4-5,10H,3,6H2,(H,11,12);1H4
InChIKeyQYGAAIWRHVRCJJ-UHFFFAOYSA-N
XLogP2.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-hydroxyphenyl)propanoic acid;methane 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

3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
3-(4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 70212366
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
CID 145067130
4-(2-carboxyethyl)phenolate
CID 101364536
lanthanum;3-phenylpropanoic acid
CID 174887955
1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid
CID 174942592
3-[4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenyl]propanoic acid
CID 69293174
3-(4-hydroperoxyphenyl)propanoic acid
CID 87907656
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
3-[4-(carboniodidoylamino)phenyl]propanoic acid
CID 145154280
3-(3-hydroxyphenyl)propanoic acid;3-phenylpropanoic acid
CID 175603484

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)propanoic acid;methane?
The IUPAC name of 3-(4-hydroxyphenyl)propanoic acid;methane (CID 70425679) is 3-(4-hydroxyphenyl)propanoic acid;methane.
What is the SMILES notation for 3-(4-hydroxyphenyl)propanoic acid;methane?
The canonical SMILES for 3-(4-hydroxyphenyl)propanoic acid;methane is C.O=C(O)CCc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)propanoic acid;methane?
The InChIKey is QYGAAIWRHVRCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.CH4/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-2,4-5,10H,3,6H2,(H,11,12);1H4.
What are the key properties of 3-(4-hydroxyphenyl)propanoic acid;methane?
3-(4-hydroxyphenyl)propanoic acid;methane has a molecular weight of 182.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)propanoic acid;methane is sourced from PubChem (CID 70425679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).