[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone

C31H33NO5 — CID 141231720

IUPAC[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone
SMILESCCN(CC)CCOc1ccc(C(=O)c2oc3cc4c(cc3c2-c2ccc(OC)cc2)CCCO4)cc1
InChIInChI=1S/C31H33NO5/c1-4-32(5-2)16-18-35-25-14-10-22(11-15-25)30(33)31-29(21-8-12-24(34-3)13-9-21)26-19-23-7-6-17-36-27(23)20-28(26)37-31/h8-15,19-20H,4-7,16-18H2,1-3H3
InChIKeyFRQDMWBKAQEADA-UHFFFAOYSA-N
MW499.61 g/mol
LogP6.39
Rot. Bonds10

About [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone

[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone (PubChem CID 141231720) has the molecular formula C31H33NO5 and a molecular weight of 499.61 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone
PubChem CID141231720
Molecular FormulaC31H33NO5
Molecular Weight499.61 g/mol
Exact Mass499.24
IUPAC Name[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone
SMILESCCN(CC)CCOc1ccc(C(=O)c2oc3cc4c(cc3c2-c2ccc(OC)cc2)CCCO4)cc1
InChIInChI=1S/C31H33NO5/c1-4-32(5-2)16-18-35-25-14-10-22(11-15-25)30(33)31-29(21-8-12-24(34-3)13-9-21)26-19-23-7-6-17-36-27(23)20-28(26)37-31/h8-15,19-20H,4-7,16-18H2,1-3H3
InChIKeyFRQDMWBKAQEADA-UHFFFAOYSA-N
XLogP6.39
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone?
The IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone (CID 141231720) is [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone.
What is the SMILES notation for [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone?
The canonical SMILES for [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone is CCN(CC)CCOc1ccc(C(=O)c2oc3cc4c(cc3c2-c2ccc(OC)cc2)CCCO4)cc1.
What is the InChIKey of [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone?
The InChIKey is FRQDMWBKAQEADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO5/c1-4-32(5-2)16-18-35-25-14-10-22(11-15-25)30(33)31-29(21-8-12-24(34-3)13-9-21)26-19-23-7-6-17-36-27(23)20-28(26)37-31/h8-15,19-20H,4-7,16-18H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone?
[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone has a molecular weight of 499.61 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone is sourced from PubChem (CID 141231720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).