9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene

C21H18O2 — CID 162668539

IUPAC9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene
SMILESCOc1ccc2c(c1)-c1ccccc1OC2c1ccccc1C
InChIInChI=1S/C21H18O2/c1-14-7-3-4-8-16(14)21-18-12-11-15(22-2)13-19(18)17-9-5-6-10-20(17)23-21/h3-13,21H,1-2H3
InChIKeyIONMBGLSCZCHSJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.15
Rot. Bonds2

About 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene

9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene (PubChem CID 162668539) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene.

Molecular Properties

Compound Name9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene
PubChem CID162668539
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene
SMILESCOc1ccc2c(c1)-c1ccccc1OC2c1ccccc1C
InChIInChI=1S/C21H18O2/c1-14-7-3-4-8-16(14)21-18-12-11-15(22-2)13-19(18)17-9-5-6-10-20(17)23-21/h3-13,21H,1-2H3
InChIKeyIONMBGLSCZCHSJ-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7129
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Benzyl 2-naphthyl ether
CID 123080
Homopterocarpin
CID 101795
Me-344
CID 68026984
Butyl beta-naphthyl ether
CID 82664
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
2,7-Dimethoxynaphthalene
CID 77021
Benzo(kl)xanthene
CID 67456
6-Glycidyloxynapht-1-yl oxymethyloxirane
CID 4987597
Naphthalene, 1-(phenylmethoxy)-
CID 136404

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene?
The IUPAC name of 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene (CID 162668539) is 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene.
What is the SMILES notation for 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene?
The canonical SMILES for 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene is COc1ccc2c(c1)-c1ccccc1OC2c1ccccc1C.
What is the InChIKey of 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene?
The InChIKey is IONMBGLSCZCHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-14-7-3-4-8-16(14)21-18-12-11-15(22-2)13-19(18)17-9-5-6-10-20(17)23-21/h3-13,21H,1-2H3.
What are the key properties of 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene?
9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene has a molecular weight of 302.37 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-(2-methylphenyl)-6H-benzo[c]chromene is sourced from PubChem (CID 162668539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).