2-(hydroxymethoxy)-3-phenylprop-2-enal

C10H10O3 — CID 54119868

IUPAC2-(hydroxymethoxy)-3-phenylprop-2-enal
SMILESO=CC(=Cc1ccccc1)OCO
InChIInChI=1S/C10H10O3/c11-7-10(13-8-12)6-9-4-2-1-3-5-9/h1-7,12H,8H2
InChIKeyDTYHKAWUIQQXMN-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.19
Rot. Bonds4

About 2-(hydroxymethoxy)-3-phenylprop-2-enal

2-(hydroxymethoxy)-3-phenylprop-2-enal (PubChem CID 54119868) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(hydroxymethoxy)-3-phenylprop-2-enal.

Molecular Properties

Compound Name2-(hydroxymethoxy)-3-phenylprop-2-enal
PubChem CID54119868
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-(hydroxymethoxy)-3-phenylprop-2-enal
SMILESO=CC(=Cc1ccccc1)OCO
InChIInChI=1S/C10H10O3/c11-7-10(13-8-12)6-9-4-2-1-3-5-9/h1-7,12H,8H2
InChIKeyDTYHKAWUIQQXMN-UHFFFAOYSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethoxy)-3-phenylprop-2-enal 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-(4-chlorophenyl)-2-oxobut-3-enoxy]-3-phenylprop-2-enal
CID 173435819
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal
CID 175337315
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
CID 46183091
CID 174825448
CID 174825448
2-fluoro-3-phenylprop-2-enal
CID 54285949
2-benzylidene-3,3-dimethylpentanal
CID 175908498
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
(Z)-2-phenylmethoxybut-2-enal
CID 155092165
1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid
CID 123152820
(E)-1-(methoxyamino)-2-phenylethenol
CID 10012253
dimethyl 2-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanedioate
CID 101430340
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxy)-3-phenylprop-2-enal?
The IUPAC name of 2-(hydroxymethoxy)-3-phenylprop-2-enal (CID 54119868) is 2-(hydroxymethoxy)-3-phenylprop-2-enal.
What is the SMILES notation for 2-(hydroxymethoxy)-3-phenylprop-2-enal?
The canonical SMILES for 2-(hydroxymethoxy)-3-phenylprop-2-enal is O=CC(=Cc1ccccc1)OCO.
What is the InChIKey of 2-(hydroxymethoxy)-3-phenylprop-2-enal?
The InChIKey is DTYHKAWUIQQXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-7-10(13-8-12)6-9-4-2-1-3-5-9/h1-7,12H,8H2.
What are the key properties of 2-(hydroxymethoxy)-3-phenylprop-2-enal?
2-(hydroxymethoxy)-3-phenylprop-2-enal has a molecular weight of 178.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxy)-3-phenylprop-2-enal is sourced from PubChem (CID 54119868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).