2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid

C32H29NO6 — CID 70233183

IUPAC2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(C(=O)O)cc4ccc(N5CCOCC5)cc4c3O2)cc1
InChIInChI=1S/C32H29NO6/c1-36-25-9-4-22(5-10-25)32(23-6-11-26(37-2)12-7-23)14-13-27-29(31(34)35)19-21-3-8-24(20-28(21)30(27)39-32)33-15-17-38-18-16-33/h3-14,19-20H,15-18H2,1-2H3,(H,34,35)
InChIKeyFNZKSFMQEDGIOF-UHFFFAOYSA-N
MW523.59 g/mol
LogP5.74
Rot. Bonds6

About 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid

2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid (PubChem CID 70233183) has the molecular formula C32H29NO6 and a molecular weight of 523.59 g/mol. Its IUPAC name is 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid.

Molecular Properties

Compound Name2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid
PubChem CID70233183
Molecular FormulaC32H29NO6
Molecular Weight523.59 g/mol
Exact Mass523.20
IUPAC Name2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(C(=O)O)cc4ccc(N5CCOCC5)cc4c3O2)cc1
InChIInChI=1S/C32H29NO6/c1-36-25-9-4-22(5-10-25)32(23-6-11-26(37-2)12-7-23)14-13-27-29(31(34)35)19-21-3-8-24(20-28(21)30(27)39-32)33-15-17-38-18-16-33/h3-14,19-20H,15-18H2,1-2H3,(H,34,35)
InChIKeyFNZKSFMQEDGIOF-UHFFFAOYSA-N
XLogP5.74
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.59
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-methoxy-2-(4-methoxyphenyl)-2-(4-morpholin-4-ylphenyl)benzo[h]chromene-5-carboxylate
CID 142000325
methyl 9-(dimethylamino)-2-(4-methoxyphenyl)-2-(4-piperidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 21076405
4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine
CID 22624741
4-[4-[5-(4-methoxyphenyl)-21,21-dimethyl-10-morpholin-4-yl-18-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaen-5-yl]phenyl]morpholine
CID 168851819
methyl 2-(4-methoxyphenyl)-9-methyl-5-morpholin-4-yl-2-phenylbenzo[h]chromene-6-carboxylate
CID 18316928
methyl 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-phenyl-8-[(4-phenylphenyl)carbamoyl]benzo[h]chromene-5-carboxylate
CID 66995549
4-[4-[10-methoxy-5-(4-methoxyphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene-21,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl]phenyl]morpholine
CID 122381778
4-[4-(4,18-dimethoxy-21,21-dimethyl-10-phenyl-9-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaen-10-yl)phenyl]morpholine
CID 12994773
4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine
CID 170543909
4-[4-[18-isocyano-10-methoxy-5-(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaen-5-yl]phenyl]morpholine
CID 168851616
4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 15868597
ethane;methyl 8-[4-(4-methylphenyl)phenyl]-2-phenyl-2-(4-pyrrolidin-1-ylphenyl)benzo[h]chromene-5-carboxylate
CID 143661435

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid?
The IUPAC name of 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid (CID 70233183) is 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid.
What is the SMILES notation for 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid?
The canonical SMILES for 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid is COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(C(=O)O)cc4ccc(N5CCOCC5)cc4c3O2)cc1.
What is the InChIKey of 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid?
The InChIKey is FNZKSFMQEDGIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO6/c1-36-25-9-4-22(5-10-25)32(23-6-11-26(37-2)12-7-23)14-13-27-29(31(34)35)19-21-3-8-24(20-28(21)30(27)39-32)33-15-17-38-18-16-33/h3-14,19-20H,15-18H2,1-2H3,(H,34,35).
What are the key properties of 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid?
2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid has a molecular weight of 523.59 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid is sourced from PubChem (CID 70233183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).