3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one

C17H16O3 — CID 50742117

IUPAC3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(OCCO)cc1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-12-13-20-16-9-6-14(7-10-16)8-11-17(19)15-4-2-1-3-5-15/h1-11,18H,12-13H2
InChIKeyARRUHGIQSFQDPD-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.95
Rot. Bonds6

About 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one

3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 50742117) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
PubChem CID50742117
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(OCCO)cc1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-12-13-20-16-9-6-14(7-10-16)8-11-17(19)15-4-2-1-3-5-15/h1-11,18H,12-13H2
InChIKeyARRUHGIQSFQDPD-UHFFFAOYSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
(E)-3-[4-[2-(4-ethenylphenoxy)ethoxy]phenyl]-1-phenylprop-2-en-1-one
CID 22026760
1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
CID 175052952
3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one
CID 67799567
3-[4-(dimethylamino)phenyl]-1-[4-(2-hydroxyethoxy)phenyl]prop-2-en-1-one
CID 54566704
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoate;methane;4-(3-oxo-3-phenylprop-1-enyl)benzoic acid
CID 157295694
(E)-1-[4-[(2R)-2-hydroxy-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-3-phenylprop-2-en-1-one
CID 95241953
(E)-1-[4-[(2S)-2-hydroxy-3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-3-phenylprop-2-en-1-one
CID 124767910
(E)-1,3-bis[4-(2-chloroethoxy)phenyl]prop-2-en-1-one
CID 6053420
1,3-bis[4-(2-chloroethoxy)phenyl]prop-2-en-1-one
CID 2751350
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one (CID 50742117) is 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one is O=C(C=Cc1ccc(OCCO)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is ARRUHGIQSFQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-12-13-20-16-9-6-14(7-10-16)8-11-17(19)15-4-2-1-3-5-15/h1-11,18H,12-13H2.
What are the key properties of 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one?
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 268.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 50742117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).