7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one

C27H23ClO5 — CID 4627341

IUPAC7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1ccccc1Cl
InChIInChI=1S/C27H23ClO5/c1-2-5-18-12-20-25(14-24(18)32-15-19-6-3-4-7-22(19)28)33-16-21(27(20)29)17-8-9-23-26(13-17)31-11-10-30-23/h3-4,6-9,12-14,16H,2,5,10-11,15H2,1H3
InChIKeyQZXDVHRTHSAVBX-UHFFFAOYSA-N
MW462.93 g/mol
LogP6.42
Rot. Bonds6

About 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one

7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one (PubChem CID 4627341) has the molecular formula C27H23ClO5 and a molecular weight of 462.93 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one
PubChem CID4627341
Molecular FormulaC27H23ClO5
Molecular Weight462.93 g/mol
Exact Mass462.12
IUPAC Name7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1ccccc1Cl
InChIInChI=1S/C27H23ClO5/c1-2-5-18-12-20-25(14-24(18)32-15-19-6-3-4-7-22(19)28)33-16-21(27(20)29)17-8-9-23-26(13-17)31-11-10-30-23/h3-4,6-9,12-14,16H,2,5,10-11,15H2,1H3
InChIKeyQZXDVHRTHSAVBX-UHFFFAOYSA-N
XLogP6.42
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one with MolForge

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 4627006
ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]oxyacetate
CID 1307254
7-[(2-chlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methylchromen-4-one
CID 4627344
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] 3-cyclopentylpropanoate
CID 4630209
7-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propylchromen-4-one
CID 4627839
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetic acid;ethanamine
CID 131664670
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl] furan-2-carboxylate
CID 1305812
propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate
CID 2937789
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate
CID 22303333
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one
CID 2024211
3-(1,3-benzodioxol-5-yl)-7-methoxy-6-propan-2-ylchromen-4-one
CID 4224623
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxochromen-7-yl] morpholine-4-carboxylate
CID 1034249

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one?
The IUPAC name of 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one (CID 4627341) is 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one.
What is the SMILES notation for 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one?
The canonical SMILES for 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one is CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1ccccc1Cl.
What is the InChIKey of 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one?
The InChIKey is QZXDVHRTHSAVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClO5/c1-2-5-18-12-20-25(14-24(18)32-15-19-6-3-4-7-22(19)28)33-16-21(27(20)29)17-8-9-23-26(13-17)31-11-10-30-23/h3-4,6-9,12-14,16H,2,5,10-11,15H2,1H3.
What are the key properties of 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one?
7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one has a molecular weight of 462.93 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one is sourced from PubChem (CID 4627341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).