2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one

C32H26O5 — CID 56649004

IUPAC2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one
SMILESC=CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C32H26O5/c1-2-18-34-29-20-28-30(26(33)19-27(37-28)25-16-10-5-11-17-25)32(36-22-24-14-8-4-9-15-24)31(29)35-21-23-12-6-3-7-13-23/h2-17,19-20H,1,18,21-22H2
InChIKeyVXGVZHVFUJGHJP-UHFFFAOYSA-N
MW490.56 g/mol
LogP7.18
Rot. Bonds10

About 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one

2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one (PubChem CID 56649004) has the molecular formula C32H26O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one.

Molecular Properties

Compound Name2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one
PubChem CID56649004
Molecular FormulaC32H26O5
Molecular Weight490.56 g/mol
Exact Mass490.18
IUPAC Name2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one
SMILESC=CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C32H26O5/c1-2-18-34-29-20-28-30(26(33)19-27(37-28)25-16-10-5-11-17-25)32(36-22-24-14-8-4-9-15-24)31(29)35-21-23-12-6-3-7-13-23/h2-17,19-20H,1,18,21-22H2
InChIKeyVXGVZHVFUJGHJP-UHFFFAOYSA-N
XLogP7.18
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one?
The IUPAC name of 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one (CID 56649004) is 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one.
What is the SMILES notation for 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one?
The canonical SMILES for 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one is C=CCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one?
The InChIKey is VXGVZHVFUJGHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O5/c1-2-18-34-29-20-28-30(26(33)19-27(37-28)25-16-10-5-11-17-25)32(36-22-24-14-8-4-9-15-24)31(29)35-21-23-12-6-3-7-13-23/h2-17,19-20H,1,18,21-22H2.
What are the key properties of 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one?
2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one has a molecular weight of 490.56 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one is sourced from PubChem (CID 56649004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).