7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one

C23H24O3 — CID 78209722

IUPAC7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
SMILESCc1ccccc1COC1CCC2C(=O)C(c3ccccc3)=COC2C1
InChIInChI=1S/C23H24O3/c1-16-7-5-6-10-18(16)14-25-19-11-12-20-22(13-19)26-15-21(23(20)24)17-8-3-2-4-9-17/h2-10,15,19-20,22H,11-14H2,1H3
InChIKeyRVZMSOTWRMTZRL-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.69
Rot. Bonds4

About 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one

7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one (PubChem CID 78209722) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one.

Molecular Properties

Compound Name7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
PubChem CID78209722
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
SMILESCc1ccccc1COC1CCC2C(=O)C(c3ccccc3)=COC2C1
InChIInChI=1S/C23H24O3/c1-16-7-5-6-10-18(16)14-25-19-11-12-20-22(13-19)26-15-21(23(20)24)17-8-3-2-4-9-17/h2-10,15,19-20,22H,11-14H2,1H3
InChIKeyRVZMSOTWRMTZRL-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The IUPAC name of 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one (CID 78209722) is 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one.
What is the SMILES notation for 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The canonical SMILES for 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one is Cc1ccccc1COC1CCC2C(=O)C(c3ccccc3)=COC2C1.
What is the InChIKey of 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
The InChIKey is RVZMSOTWRMTZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-16-7-5-6-10-18(16)14-25-19-11-12-20-22(13-19)26-15-21(23(20)24)17-8-3-2-4-9-17/h2-10,15,19-20,22H,11-14H2,1H3.
What are the key properties of 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one?
7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one has a molecular weight of 348.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one is sourced from PubChem (CID 78209722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).