2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene

C35H30O3 — CID 70801990

IUPAC2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene
SMILESCOc1cc2c(cc1OCc1ccccc1)OC(c1ccccc1)c1cc(C(C)c3ccccc3)ccc1-2
InChIInChI=1S/C35H30O3/c1-24(26-14-8-4-9-15-26)28-18-19-29-30-21-33(36-2)34(37-23-25-12-6-3-7-13-25)22-32(30)38-35(31(29)20-28)27-16-10-5-11-17-27/h3-22,24,35H,23H2,1-2H3
InChIKeyVGADKHLVSFAKLD-UHFFFAOYSA-N
MW498.62 g/mol
LogP8.57
Rot. Bonds7

About 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene

2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene (PubChem CID 70801990) has the molecular formula C35H30O3 and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene.

Molecular Properties

Compound Name2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene
PubChem CID70801990
Molecular FormulaC35H30O3
Molecular Weight498.62 g/mol
Exact Mass498.22
IUPAC Name2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene
SMILESCOc1cc2c(cc1OCc1ccccc1)OC(c1ccccc1)c1cc(C(C)c3ccccc3)ccc1-2
InChIInChI=1S/C35H30O3/c1-24(26-14-8-4-9-15-26)28-18-19-29-30-21-33(36-2)34(37-23-25-12-6-3-7-13-25)22-32(30)38-35(31(29)20-28)27-16-10-5-11-17-27/h3-22,24,35H,23H2,1-2H3
InChIKeyVGADKHLVSFAKLD-UHFFFAOYSA-N
XLogP8.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123611279
1-[(6S)-3-[(4-fluorophenyl)methoxy]-6-hydroxy-2-methoxy-6H-benzo[c]chromen-8-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene?
The IUPAC name of 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene (CID 70801990) is 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene.
What is the SMILES notation for 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene?
The canonical SMILES for 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene is COc1cc2c(cc1OCc1ccccc1)OC(c1ccccc1)c1cc(C(C)c3ccccc3)ccc1-2.
What is the InChIKey of 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene?
The InChIKey is VGADKHLVSFAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O3/c1-24(26-14-8-4-9-15-26)28-18-19-29-30-21-33(36-2)34(37-23-25-12-6-3-7-13-25)22-32(30)38-35(31(29)20-28)27-16-10-5-11-17-27/h3-22,24,35H,23H2,1-2H3.
What are the key properties of 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene?
2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene has a molecular weight of 498.62 g/mol, XLogP of 8.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene is sourced from PubChem (CID 70801990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).