(1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one

C21H18O2 — CID 24806034

IUPAC(1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one
SMILESCc1ccc([C@H]2CC(=O)Oc3ccc4cc(C)ccc4c32)cc1
InChIInChI=1S/C21H18O2/c1-13-3-6-15(7-4-13)18-12-20(22)23-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3/t18-/m1/s1
InChIKeyFFMUDELSZJEJKF-GOSISDBHSA-N
MW302.37 g/mol
LogP4.90
Rot. Bonds1

About (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one

(1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 24806034) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name(1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one
PubChem CID24806034
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one
SMILESCc1ccc([C@H]2CC(=O)Oc3ccc4cc(C)ccc4c32)cc1
InChIInChI=1S/C21H18O2/c1-13-3-6-15(7-4-13)18-12-20(22)23-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3/t18-/m1/s1
InChIKeyFFMUDELSZJEJKF-GOSISDBHSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one (CID 24806034) is (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one is Cc1ccc([C@H]2CC(=O)Oc3ccc4cc(C)ccc4c32)cc1.
What is the InChIKey of (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is FFMUDELSZJEJKF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18O2/c1-13-3-6-15(7-4-13)18-12-20(22)23-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one?
(1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 302.37 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 24806034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).