7-methyl-4-phenyl-3,4-dihydrochromen-2-one

C16H14O2 — CID 2902827

IUPAC7-methyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCc1ccc2c(c1)OC(=O)CC2c1ccccc1
InChIInChI=1S/C16H14O2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17)18-15(13)9-11/h2-9,14H,10H2,1H3
InChIKeyDVIONHZDAYXRBA-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.44
Rot. Bonds1

About 7-methyl-4-phenyl-3,4-dihydrochromen-2-one

7-methyl-4-phenyl-3,4-dihydrochromen-2-one (PubChem CID 2902827) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-methyl-4-phenyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-methyl-4-phenyl-3,4-dihydrochromen-2-one
PubChem CID2902827
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name7-methyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCc1ccc2c(c1)OC(=O)CC2c1ccccc1
InChIInChI=1S/C16H14O2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17)18-15(13)9-11/h2-9,14H,10H2,1H3
InChIKeyDVIONHZDAYXRBA-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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 7-methyl-4-phenyl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-methyl-4-phenyl-3,4-dihydrochromen-2-one (CID 2902827) is 7-methyl-4-phenyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-methyl-4-phenyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-methyl-4-phenyl-3,4-dihydrochromen-2-one is Cc1ccc2c(c1)OC(=O)CC2c1ccccc1.
What is the InChIKey of 7-methyl-4-phenyl-3,4-dihydrochromen-2-one?
The InChIKey is DVIONHZDAYXRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17)18-15(13)9-11/h2-9,14H,10H2,1H3.
What are the key properties of 7-methyl-4-phenyl-3,4-dihydrochromen-2-one?
7-methyl-4-phenyl-3,4-dihydrochromen-2-one has a molecular weight of 238.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 2902827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).