(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone

C32H29NO5 — CID 70668387

IUPAC(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
SMILESC=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCN5CCOCC5)c4)c(-c4ccccc4)c3c2O1
InChIInChI=1S/C32H29NO5/c1-21-19-22(2)37-31-26(21)11-12-27-29(31)28(23-7-4-3-5-8-23)32(38-27)30(34)24-9-6-10-25(20-24)36-18-15-33-13-16-35-17-14-33/h3-12,19-20H,2,13-18H2,1H3
InChIKeyNXUCIZFYTAYCPB-UHFFFAOYSA-N
MW507.59 g/mol
LogP6.35
Rot. Bonds7

About (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone

(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone (PubChem CID 70668387) has the molecular formula C32H29NO5 and a molecular weight of 507.59 g/mol. Its IUPAC name is (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
PubChem CID70668387
Molecular FormulaC32H29NO5
Molecular Weight507.59 g/mol
Exact Mass507.20
IUPAC Name(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
SMILESC=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCN5CCOCC5)c4)c(-c4ccccc4)c3c2O1
InChIInChI=1S/C32H29NO5/c1-21-19-22(2)37-31-26(21)11-12-27-29(31)28(23-7-4-3-5-8-23)32(38-27)30(34)24-9-6-10-25(20-24)36-18-15-33-13-16-35-17-14-33/h3-12,19-20H,2,13-18H2,1H3
InChIKeyNXUCIZFYTAYCPB-UHFFFAOYSA-N
XLogP6.35
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone?
The IUPAC name of (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone (CID 70668387) is (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone.
What is the SMILES notation for (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone?
The canonical SMILES for (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone is C=C1C=C(C)c2ccc3oc(C(=O)c4cccc(OCCN5CCOCC5)c4)c(-c4ccccc4)c3c2O1.
What is the InChIKey of (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone?
The InChIKey is NXUCIZFYTAYCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO5/c1-21-19-22(2)37-31-26(21)11-12-27-29(31)28(23-7-4-3-5-8-23)32(38-27)30(34)24-9-6-10-25(20-24)36-18-15-33-13-16-35-17-14-33/h3-12,19-20H,2,13-18H2,1H3.
What are the key properties of (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone?
(4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone has a molecular weight of 507.59 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-methylidene-9-phenylfuro[2,3-h]chromen-8-yl)-[3-(2-morpholin-4-ylethoxy)phenyl]methanone is sourced from PubChem (CID 70668387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).