2-hydroxy-3-phenylprop-2-enoic acid;methane

C10H12O3 — CID 66953163

IUPAC2-hydroxy-3-phenylprop-2-enoic acid;methane
SMILESC.O=C(O)C(O)=Cc1ccccc1
InChIInChI=1S/C9H8O3.CH4/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-6,10H,(H,11,12);1H4
InChIKeyHFYKTYWWLSWWLX-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.31
Rot. Bonds2

About 2-hydroxy-3-phenylprop-2-enoic acid;methane

2-hydroxy-3-phenylprop-2-enoic acid;methane (PubChem CID 66953163) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-hydroxy-3-phenylprop-2-enoic acid;methane.

Molecular Properties

Compound Name2-hydroxy-3-phenylprop-2-enoic acid;methane
PubChem CID66953163
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-hydroxy-3-phenylprop-2-enoic acid;methane
SMILESC.O=C(O)C(O)=Cc1ccccc1
InChIInChI=1S/C9H8O3.CH4/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-6,10H,(H,11,12);1H4
InChIKeyHFYKTYWWLSWWLX-UHFFFAOYSA-N
XLogP2.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

germane;2-hydroxy-3-phenylprop-2-enoic acid
CID 174439173
2-hydroxy-3-phenylprop-2-enoic acid;sulfuric acid
CID 159269897
(Z)-3-phenyl-2-sulfanylprop-2-enoic acid
CID 5396334
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
2-carboxy-3-phenylprop-2-enoate
CID 5248661
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
(E)-3-(hydroxymethyl)-2-oxo-4-phenylbut-3-enoic acid
CID 138679673
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
(Z)-3-phenyl-2-phosphonoprop-2-enoic acid
CID 67323019
2-(dihydroxycarbamoyl)-3-phenylprop-2-enoic acid
CID 87495750
2-(bromomethyl)-3-phenylprop-2-enoic acid
CID 4155481
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylprop-2-enoic acid;methane?
The IUPAC name of 2-hydroxy-3-phenylprop-2-enoic acid;methane (CID 66953163) is 2-hydroxy-3-phenylprop-2-enoic acid;methane.
What is the SMILES notation for 2-hydroxy-3-phenylprop-2-enoic acid;methane?
The canonical SMILES for 2-hydroxy-3-phenylprop-2-enoic acid;methane is C.O=C(O)C(O)=Cc1ccccc1.
What is the InChIKey of 2-hydroxy-3-phenylprop-2-enoic acid;methane?
The InChIKey is HFYKTYWWLSWWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.CH4/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-6,10H,(H,11,12);1H4.
What are the key properties of 2-hydroxy-3-phenylprop-2-enoic acid;methane?
2-hydroxy-3-phenylprop-2-enoic acid;methane has a molecular weight of 180.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylprop-2-enoic acid;methane is sourced from PubChem (CID 66953163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).