4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine

C32H31NO4 — CID 18695013

IUPAC4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine
SMILESCOc1cc(OC)c2cc(C)c3c(c2c1)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3
InChIInChI=1S/C32H31NO4/c1-22-19-28-29(20-26(34-2)21-30(28)35-3)31-27(22)13-14-32(37-31,23-7-5-4-6-8-23)24-9-11-25(12-10-24)33-15-17-36-18-16-33/h4-14,19-21H,15-18H2,1-3H3
InChIKeyWMWOSZLXLPMVEA-UHFFFAOYSA-N
MW493.60 g/mol
LogP6.35
Rot. Bonds5

About 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine

4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine (PubChem CID 18695013) has the molecular formula C32H31NO4 and a molecular weight of 493.60 g/mol. Its IUPAC name is 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine
PubChem CID18695013
Molecular FormulaC32H31NO4
Molecular Weight493.60 g/mol
Exact Mass493.23
IUPAC Name4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine
SMILESCOc1cc(OC)c2cc(C)c3c(c2c1)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3
InChIInChI=1S/C32H31NO4/c1-22-19-28-29(20-26(34-2)21-30(28)35-3)31-27(22)13-14-32(37-31,23-7-5-4-6-8-23)24-9-11-25(12-10-24)33-15-17-36-18-16-33/h4-14,19-21H,15-18H2,1-3H3
InChIKeyWMWOSZLXLPMVEA-UHFFFAOYSA-N
XLogP6.35
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine (CID 18695013) is 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine is COc1cc(OC)c2cc(C)c3c(c2c1)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3.
What is the InChIKey of 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine?
The InChIKey is WMWOSZLXLPMVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO4/c1-22-19-28-29(20-26(34-2)21-30(28)35-3)31-27(22)13-14-32(37-31,23-7-5-4-6-8-23)24-9-11-25(12-10-24)33-15-17-36-18-16-33/h4-14,19-21H,15-18H2,1-3H3.
What are the key properties of 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine?
4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine has a molecular weight of 493.60 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7,9-dimethoxy-5-methyl-2-phenylbenzo[h]chromen-2-yl)phenyl]morpholine is sourced from PubChem (CID 18695013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).