2-(4-methylphenyl)-2,3-dihydrochromen-4-one

C16H14O2 — CID 2802466

IUPAC2-(4-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc(C2CC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-9,16H,10H2,1H3
InChIKeyHITISLKGAFZTFZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.70
Rot. Bonds1

About 2-(4-methylphenyl)-2,3-dihydrochromen-4-one

2-(4-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 2802466) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID2802466
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-(4-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc(C2CC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-9,16H,10H2,1H3
InChIKeyHITISLKGAFZTFZ-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-methylphenyl)-2,3-dihydrochromen-4-one (CID 2802466) is 2-(4-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-methylphenyl)-2,3-dihydrochromen-4-one is Cc1ccc(C2CC(=O)c3ccccc3O2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is HITISLKGAFZTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-9,16H,10H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2,3-dihydrochromen-4-one?
2-(4-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 238.29 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 2802466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).