(4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone

C30H26ClNO5 — CID 89497900

IUPAC(4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1oc2cc3c(cc2c1-c1ccc(OCCN2CCOCC2)cc1)CC=CO3
InChIInChI=1S/C30H26ClNO5/c31-23-7-3-21(4-8-23)29(33)30-28(25-18-22-2-1-14-36-26(22)19-27(25)37-30)20-5-9-24(10-6-20)35-17-13-32-11-15-34-16-12-32/h1,3-10,14,18-19H,2,11-13,15-17H2
InChIKeyADRDCFUKXHDKNY-UHFFFAOYSA-N
MW515.99 g/mol
LogP6.14
Rot. Bonds7

About (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone

(4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone (PubChem CID 89497900) has the molecular formula C30H26ClNO5 and a molecular weight of 515.99 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone
PubChem CID89497900
Molecular FormulaC30H26ClNO5
Molecular Weight515.99 g/mol
Exact Mass515.15
IUPAC Name(4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1oc2cc3c(cc2c1-c1ccc(OCCN2CCOCC2)cc1)CC=CO3
InChIInChI=1S/C30H26ClNO5/c31-23-7-3-21(4-8-23)29(33)30-28(25-18-22-2-1-14-36-26(22)19-27(25)37-30)20-5-9-24(10-6-20)35-17-13-32-11-15-34-16-12-32/h1,3-10,14,18-19H,2,11-13,15-17H2
InChIKeyADRDCFUKXHDKNY-UHFFFAOYSA-N
XLogP6.14
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.99
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(diethylamino)ethoxy]phenyl]-(3-phenyl-5H-furo[3,2-g]chromen-2-yl)methanone
CID 89497868
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
3-(4-chlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one
CID 10204938
[4-[2-(diethylamino)ethoxy]phenyl]-[3-(4-methoxyphenyl)-6,7-dihydro-5H-furo[3,2-g]chromen-2-yl]methanone
CID 141231720
3-(4-chlorophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one;hydrochloride
CID 22994356
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzoselenophen-3-yl]-[4-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 118717362
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 143419572
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
3-(4-chlorophenyl)-7-hydroxy-4-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-2-one
CID 10184881

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone (CID 89497900) is (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone is O=C(c1ccc(Cl)cc1)c1oc2cc3c(cc2c1-c1ccc(OCCN2CCOCC2)cc1)CC=CO3.
What is the InChIKey of (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone?
The InChIKey is ADRDCFUKXHDKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO5/c31-23-7-3-21(4-8-23)29(33)30-28(25-18-22-2-1-14-36-26(22)19-27(25)37-30)20-5-9-24(10-6-20)35-17-13-32-11-15-34-16-12-32/h1,3-10,14,18-19H,2,11-13,15-17H2.
What are the key properties of (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone?
(4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone has a molecular weight of 515.99 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-5H-furo[3,2-g]chromen-2-yl]methanone is sourced from PubChem (CID 89497900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).