2-[hydroxy(phenyl)methyl]prop-2-enoic acid

C10H10O3 — CID 15409573

IUPAC2-[hydroxy(phenyl)methyl]prop-2-enoic acid
SMILESC=C(C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C10H10O3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H2,(H,12,13)
InChIKeyCCKOBRGKRZCLBH-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.36
Rot. Bonds3

About 2-[hydroxy(phenyl)methyl]prop-2-enoic acid

2-[hydroxy(phenyl)methyl]prop-2-enoic acid (PubChem CID 15409573) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]prop-2-enoic acid
PubChem CID15409573
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-[hydroxy(phenyl)methyl]prop-2-enoic acid
SMILESC=C(C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C10H10O3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H2,(H,12,13)
InChIKeyCCKOBRGKRZCLBH-UHFFFAOYSA-N
XLogP1.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[hydroxy(phenyl)methyl]prop-2-enoic acid (CID 15409573) is 2-[hydroxy(phenyl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]prop-2-enoic acid is C=C(C(=O)O)C(O)c1ccccc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]prop-2-enoic acid?
The InChIKey is CCKOBRGKRZCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H2,(H,12,13).
What are the key properties of 2-[hydroxy(phenyl)methyl]prop-2-enoic acid?
2-[hydroxy(phenyl)methyl]prop-2-enoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]prop-2-enoic acid is sourced from PubChem (CID 15409573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).