9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one

C24H24O4 — CID 163692795

IUPAC9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one
SMILESC=C1C=C(c2ccc(OC)cc2)C(=O)c2c3c(cc(OCCC)c21)CCCO3
InChIInChI=1S/C24H24O4/c1-4-11-27-20-14-17-6-5-12-28-24(17)22-21(20)15(2)13-19(23(22)25)16-7-9-18(26-3)10-8-16/h7-10,13-14H,2,4-6,11-12H2,1,3H3
InChIKeyJUJMQTZOIKWXJZ-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.10
Rot. Bonds5

About 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one

9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one (PubChem CID 163692795) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one
PubChem CID163692795
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one
SMILESC=C1C=C(c2ccc(OC)cc2)C(=O)c2c3c(cc(OCCC)c21)CCCO3
InChIInChI=1S/C24H24O4/c1-4-11-27-20-14-17-6-5-12-28-24(17)22-21(20)15(2)13-19(23(22)25)16-7-9-18(26-3)10-8-16/h7-10,13-14H,2,4-6,11-12H2,1,3H3
InChIKeyJUJMQTZOIKWXJZ-UHFFFAOYSA-N
XLogP5.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one?
The IUPAC name of 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one (CID 163692795) is 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one.
What is the SMILES notation for 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one?
The canonical SMILES for 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one is C=C1C=C(c2ccc(OC)cc2)C(=O)c2c3c(cc(OCCC)c21)CCCO3.
What is the InChIKey of 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one?
The InChIKey is JUJMQTZOIKWXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-4-11-27-20-14-17-6-5-12-28-24(17)22-21(20)15(2)13-19(23(22)25)16-7-9-18(26-3)10-8-16/h7-10,13-14H,2,4-6,11-12H2,1,3H3.
What are the key properties of 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one?
9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one has a molecular weight of 376.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-7-methylidene-6-propoxy-3,4-dihydro-2H-benzo[h]chromen-10-one is sourced from PubChem (CID 163692795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).