6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene

C30H28O4 — CID 70127065

IUPAC6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene
SMILESCOc1ccc(CC2(Cc3ccc(OC)cc3)C=Cc3c(cc(OC)c4ccccc34)O2)cc1
InChIInChI=1S/C30H28O4/c1-31-23-12-8-21(9-13-23)19-30(20-22-10-14-24(32-2)15-11-22)17-16-27-25-6-4-5-7-26(25)28(33-3)18-29(27)34-30/h4-18H,19-20H2,1-3H3
InChIKeyNKCQNAMWIYOUJN-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.50
Rot. Bonds7

About 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene

6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene (PubChem CID 70127065) has the molecular formula C30H28O4 and a molecular weight of 452.55 g/mol. Its IUPAC name is 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene.

Molecular Properties

Compound Name6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene
PubChem CID70127065
Molecular FormulaC30H28O4
Molecular Weight452.55 g/mol
Exact Mass452.20
IUPAC Name6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene
SMILESCOc1ccc(CC2(Cc3ccc(OC)cc3)C=Cc3c(cc(OC)c4ccccc34)O2)cc1
InChIInChI=1S/C30H28O4/c1-31-23-12-8-21(9-13-23)19-30(20-22-10-14-24(32-2)15-11-22)17-16-27-25-6-4-5-7-26(25)28(33-3)18-29(27)34-30/h4-18H,19-20H2,1-3H3
InChIKeyNKCQNAMWIYOUJN-UHFFFAOYSA-N
XLogP6.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Delta-Viniferin
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene?
The IUPAC name of 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene (CID 70127065) is 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene.
What is the SMILES notation for 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene?
The canonical SMILES for 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene is COc1ccc(CC2(Cc3ccc(OC)cc3)C=Cc3c(cc(OC)c4ccccc34)O2)cc1.
What is the InChIKey of 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene?
The InChIKey is NKCQNAMWIYOUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O4/c1-31-23-12-8-21(9-13-23)19-30(20-22-10-14-24(32-2)15-11-22)17-16-27-25-6-4-5-7-26(25)28(33-3)18-29(27)34-30/h4-18H,19-20H2,1-3H3.
What are the key properties of 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene?
6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene has a molecular weight of 452.55 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-bis[(4-methoxyphenyl)methyl]benzo[f]chromene is sourced from PubChem (CID 70127065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).