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

C30H29NO4 — CID 89497868

IUPAC[4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone
SMILESCCN(CC)CCOc1ccc(C(=O)c2oc3cc4c(cc3c2-c2ccccc2)CC=CO4)cc1
InChIInChI=1S/C30H29NO4/c1-3-31(4-2)16-18-33-24-14-12-22(13-15-24)29(32)30-28(21-9-6-5-7-10-21)25-19-23-11-8-17-34-26(23)20-27(25)35-30/h5-10,12-15,17,19-20H,3-4,11,16,18H2,1-2H3
InChIKeySFRXOMSQRZZCGF-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.50
Rot. Bonds9

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

[4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone (PubChem CID 89497868) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone
PubChem CID89497868
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name[4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone
SMILESCCN(CC)CCOc1ccc(C(=O)c2oc3cc4c(cc3c2-c2ccccc2)CC=CO4)cc1
InChIInChI=1S/C30H29NO4/c1-3-31(4-2)16-18-33-24-14-12-22(13-15-24)29(32)30-28(21-9-6-5-7-10-21)25-19-23-11-8-17-34-26(23)20-27(25)35-30/h5-10,12-15,17,19-20H,3-4,11,16,18H2,1-2H3
InChIKeySFRXOMSQRZZCGF-UHFFFAOYSA-N
XLogP6.50
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-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

Related Compounds

[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone
CID 141231720
(4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone
CID 89497900
2-[4-(2-benzoyl-5H-furo[3,2-g]chromen-3-yl)phenoxy]-2-(dimethylamino)acetaldehyde
CID 89497893
[4-[2-(diethylamino)ethoxy]phenyl]-[3-phenyl-4-(trifluoromethyl)-1-benzofuran-2-yl]methanone
CID 21435352
N,N-dimethyl-2-[4-(3-phenyl-6,7-dihydro-5H-furo[3,2-g]chromene-2-carbonyl)phenoxy]acetamide
CID 141231712
2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N,N-dimethylacetamide
CID 141231672
[4-[2-(diethylamino)ethoxy]phenyl]-pyridin-2-ylmethanone
CID 125474500
2-[4-(2-benzoyl-6,7-dihydro-5H-furo[3,2-g]chromen-3-yl)phenoxy]-N-phenylacetamide
CID 141231687
2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine
CID 141121125
8-[4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-[4-[2-(dimethylamino)ethoxy]benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 160722579
[4-[3-(diethylamino)propoxy]phenyl]-[2-(4-propoxyphenyl)-1-benzofuran-3-yl]methanone
CID 21435375
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone?
The IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone (CID 89497868) is [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone.
What is the SMILES notation for [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone?
The canonical SMILES for [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone is CCN(CC)CCOc1ccc(C(=O)c2oc3cc4c(cc3c2-c2ccccc2)CC=CO4)cc1.
What is the InChIKey of [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone?
The InChIKey is SFRXOMSQRZZCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-3-31(4-2)16-18-33-24-14-12-22(13-15-24)29(32)30-28(21-9-6-5-7-10-21)25-19-23-11-8-17-34-26(23)20-27(25)35-30/h5-10,12-15,17,19-20H,3-4,11,16,18H2,1-2H3.
What are the key properties of [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone?
[4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone has a molecular weight of 467.57 g/mol, XLogP of 6.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone is sourced from PubChem (CID 89497868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).