1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one

C25H22O3 — CID 69011276

IUPAC1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one
SMILESC/C=C/c1ccc(OC)cc1.O=c1c(-c2ccccc2)coc2ccccc12
InChIInChI=1S/C15H10O2.C10H12O/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;1-3-4-9-5-7-10(11-2)8-6-9/h1-10H;3-8H,1-2H3/b;4-3+
InChIKeyJOSVCWSMLGHEKG-SCBDLNNBSA-N
MW370.45 g/mol
LogP6.19
Rot. Bonds3

About 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one

1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one (PubChem CID 69011276) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one.

Molecular Properties

Compound Name1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one
PubChem CID69011276
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one
SMILESC/C=C/c1ccc(OC)cc1.O=c1c(-c2ccccc2)coc2ccccc12
InChIInChI=1S/C15H10O2.C10H12O/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;1-3-4-9-5-7-10(11-2)8-6-9/h1-10H;3-8H,1-2H3/b;4-3+
InChIKeyJOSVCWSMLGHEKG-SCBDLNNBSA-N
XLogP6.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one?
The IUPAC name of 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one (CID 69011276) is 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one.
What is the SMILES notation for 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one?
The canonical SMILES for 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one is C/C=C/c1ccc(OC)cc1.O=c1c(-c2ccccc2)coc2ccccc12.
What is the InChIKey of 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one?
The InChIKey is JOSVCWSMLGHEKG-SCBDLNNBSA-N. The full InChI is InChI=1S/C15H10O2.C10H12O/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;1-3-4-9-5-7-10(11-2)8-6-9/h1-10H;3-8H,1-2H3/b;4-3+.
What are the key properties of 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one?
1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one has a molecular weight of 370.45 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-prop-1-enyl]benzene;3-phenylchromen-4-one is sourced from PubChem (CID 69011276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).