(2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one

C17H16O2 — CID 46232143

IUPAC(2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc([C@@H]2CC(=O)c3ccc(C)cc3O2)cc1
InChIInChI=1S/C17H16O2/c1-11-3-6-13(7-4-11)16-10-15(18)14-8-5-12(2)9-17(14)19-16/h3-9,16H,10H2,1-2H3/t16-/m0/s1
InChIKeyMIEPNGHJBCGJAW-INIZCTEOSA-N
MW252.31 g/mol
LogP4.01
Rot. Bonds1

About (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one

(2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 46232143) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID46232143
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc([C@@H]2CC(=O)c3ccc(C)cc3O2)cc1
InChIInChI=1S/C17H16O2/c1-11-3-6-13(7-4-11)16-10-15(18)14-8-5-12(2)9-17(14)19-16/h3-9,16H,10H2,1-2H3/t16-/m0/s1
InChIKeyMIEPNGHJBCGJAW-INIZCTEOSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one (CID 46232143) is (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one is Cc1ccc([C@@H]2CC(=O)c3ccc(C)cc3O2)cc1.
What is the InChIKey of (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is MIEPNGHJBCGJAW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-3-6-13(7-4-11)16-10-15(18)14-8-5-12(2)9-17(14)19-16/h3-9,16H,10H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
(2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 252.31 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-methyl-2-(4-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 46232143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).