1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one

C20H20O4 — CID 146223486

IUPAC1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(OC2CCCCO2)cc1)c1ccccc1O
InChIInChI=1S/C20H20O4/c21-18-6-2-1-5-17(18)19(22)13-10-15-8-11-16(12-9-15)24-20-7-3-4-14-23-20/h1-2,5-6,8-13,20-21H,3-4,7,14H2
InChIKeyBCFLBRVBYQYMGE-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.19
Rot. Bonds5

About 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one

1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one (PubChem CID 146223486) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
PubChem CID146223486
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(OC2CCCCO2)cc1)c1ccccc1O
InChIInChI=1S/C20H20O4/c21-18-6-2-1-5-17(18)19(22)13-10-15-8-11-16(12-9-15)24-20-7-3-4-14-23-20/h1-2,5-6,8-13,20-21H,3-4,7,14H2
InChIKeyBCFLBRVBYQYMGE-UHFFFAOYSA-N
XLogP4.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one 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

(E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 10808037
1-[2,5-bis(oxan-2-yloxy)phenyl]-3-phenylprop-2-en-1-one
CID 142670868
(E)-1-[2,5-bis(oxan-2-yloxy)phenyl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 11070942
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223495
(E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-[3-(3-methylbut-2-enyl)-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 11547723
(E)-1-[2,5-bis(oxan-2-yloxy)phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 10894846
3-[4,4-bis(oxan-2-yloxy)cyclohexa-1,5-dien-1-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 67788779
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792
4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-(4-ethenylphenoxy)oxane;styrene
CID 161099420
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
4-(oxan-2-yloxy)phenol
CID 11745519

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one (CID 146223486) is 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one is O=C(C=Cc1ccc(OC2CCCCO2)cc1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one?
The InChIKey is BCFLBRVBYQYMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c21-18-6-2-1-5-17(18)19(22)13-10-15-8-11-16(12-9-15)24-20-7-3-4-14-23-20/h1-2,5-6,8-13,20-21H,3-4,7,14H2.
What are the key properties of 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one?
1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one has a molecular weight of 324.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 146223486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).