methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate

C37H30O5 — CID 118242212

IUPACmethyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate
SMILESCOC(=O)c1c2c(c3c4c(ccc3c1-c1ccccc1)OCC4)OC(c1ccc(C)cc1)(c1ccc(OC)cc1)C=C2
InChIInChI=1S/C37H30O5/c1-23-9-11-25(12-10-23)37(26-13-15-27(39-2)16-14-26)21-19-30-34(36(38)40-3)32(24-7-5-4-6-8-24)29-17-18-31-28(20-22-41-31)33(29)35(30)42-37/h4-19,21H,20,22H2,1-3H3
InChIKeyDMWDINMWACZCNU-UHFFFAOYSA-N
MW554.64 g/mol
LogP7.89
Rot. Bonds5

About methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate

methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate (PubChem CID 118242212) has the molecular formula C37H30O5 and a molecular weight of 554.64 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate
PubChem CID118242212
Molecular FormulaC37H30O5
Molecular Weight554.64 g/mol
Exact Mass554.21
IUPAC Namemethyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate
SMILESCOC(=O)c1c2c(c3c4c(ccc3c1-c1ccccc1)OCC4)OC(c1ccc(C)cc1)(c1ccc(OC)cc1)C=C2
InChIInChI=1S/C37H30O5/c1-23-9-11-25(12-10-23)37(26-13-15-27(39-2)16-14-26)21-19-30-34(36(38)40-3)32(24-7-5-4-6-8-24)29-17-18-31-28(20-22-41-31)33(29)35(30)42-37/h4-19,21H,20,22H2,1-3H3
InChIKeyDMWDINMWACZCNU-UHFFFAOYSA-N
XLogP7.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate with MolForge

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Related Compounds

C.I. Vat Green 1
CID 31410
alpha-Naphtholphthalein
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Butanoic acid, 1,1'-((3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) ester
CID 98158
3',6'-Diethoxyfluorescein
CID 161373
Justicidin A
CID 159982
Acetyldiphyllin
CID 1760987
3,3-Bis(4-hydroxyphenyl)benzo[g]isobenzofuran-1-one
CID 16086911
2-(4-Methoxyphenyl)benzo[h]chromen-4-one
CID 97548
9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
CID 60200398
Methyl Aristolate
CID 160246
2-(11-Hydroxy-3-oxo-3H-dibenzo(c,h)xanthen-7-yl)benzoic acid
CID 103891
Naphthofluorescein
CID 3124834

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate (CID 118242212) is methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate is COC(=O)c1c2c(c3c4c(ccc3c1-c1ccccc1)OCC4)OC(c1ccc(C)cc1)(c1ccc(OC)cc1)C=C2.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate?
The InChIKey is DMWDINMWACZCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O5/c1-23-9-11-25(12-10-23)37(26-13-15-27(39-2)16-14-26)21-19-30-34(36(38)40-3)32(24-7-5-4-6-8-24)29-17-18-31-28(20-22-41-31)33(29)35(30)42-37/h4-19,21H,20,22H2,1-3H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate?
methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate has a molecular weight of 554.64 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-10,11-dihydro-[1]benzofuro[5,4-h]chromene-5-carboxylate is sourced from PubChem (CID 118242212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).