1-(4-phenylmethoxyphenyl)prop-2-en-1-one

C16H14O2 — CID 51050714

IUPAC1-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h2-11H,1,12H2
InChIKeyGEPGKEXSOWDJRH-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)prop-2-en-1-one

1-(4-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 51050714) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID51050714
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h2-11H,1,12H2
InChIKeyGEPGKEXSOWDJRH-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 53405756
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
N-methyl-4-phenylmethoxybenzamide
CID 2996745
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate
CID 2607556

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-phenylmethoxyphenyl)prop-2-en-1-one (CID 51050714) is 1-(4-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)prop-2-en-1-one is C=CC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is GEPGKEXSOWDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h2-11H,1,12H2.
What are the key properties of 1-(4-phenylmethoxyphenyl)prop-2-en-1-one?
1-(4-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 51050714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).