6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one

C29H24O6 — CID 118735524

IUPAC6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc12
InChIInChI=1S/C29H24O6/c1-31-23-13-14-24(32-2)28-27(23)26(33-3)15-21-22(30)16-25(35-29(21)28)19-9-11-20(12-10-19)34-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChIKeyIMQYKQIOGUZSFO-UHFFFAOYSA-N
MW468.51 g/mol
LogP6.22
Rot. Bonds7

About 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one

6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one (PubChem CID 118735524) has the molecular formula C29H24O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one
PubChem CID118735524
Molecular FormulaC29H24O6
Molecular Weight468.51 g/mol
Exact Mass468.16
IUPAC Name6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc12
InChIInChI=1S/C29H24O6/c1-31-23-13-14-24(32-2)28-27(23)26(33-3)15-21-22(30)16-25(35-29(21)28)19-9-11-20(12-10-19)34-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChIKeyIMQYKQIOGUZSFO-UHFFFAOYSA-N
XLogP6.22
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one?
The IUPAC name of 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one (CID 118735524) is 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one?
The canonical SMILES for 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc12.
What is the InChIKey of 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one?
The InChIKey is IMQYKQIOGUZSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O6/c1-31-23-13-14-24(32-2)28-27(23)26(33-3)15-21-22(30)16-25(35-29(21)28)19-9-11-20(12-10-19)34-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3.
What are the key properties of 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one?
6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one has a molecular weight of 468.51 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10-trimethoxy-2-(4-phenylmethoxyphenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 118735524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).