5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one

C17H16O2 — CID 102288918

IUPAC5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCc1ccc(C)c2c1OC(=O)CC2c1ccccc1
InChIInChI=1S/C17H16O2/c1-11-8-9-12(2)17-16(11)14(10-15(18)19-17)13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3
InChIKeyFIFAEBMERWCYBP-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.74
Rot. Bonds1

About 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one

5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one (PubChem CID 102288918) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
PubChem CID102288918
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCc1ccc(C)c2c1OC(=O)CC2c1ccccc1
InChIInChI=1S/C17H16O2/c1-11-8-9-12(2)17-16(11)14(10-15(18)19-17)13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3
InChIKeyFIFAEBMERWCYBP-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 804457
7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 102552242
4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
CID 101418237
(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
CID 99991049
(9R)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991709
(9S)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991705
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750
(4S)-5,6,7,8-tetramethyl-4-(3,4,5-trimethylphenyl)-3,4-dihydrochromen-2-one
CID 170409781
(4R)-5,6,7,8-tetramethyl-4-(3,4,5-trimethylphenyl)-3,4-dihydrochromen-2-one
CID 170409783
(4S)-6-chloro-5-methyl-4-(2-methylphenyl)-3,4-dihydrochromen-2-one
CID 6540098
7-methyl-3-phenyl-2,3-dihydro-1-benzofuran
CID 15691552
ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
CID 141454268

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one?
The IUPAC name of 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one (CID 102288918) is 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one is Cc1ccc(C)c2c1OC(=O)CC2c1ccccc1.
What is the InChIKey of 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one?
The InChIKey is FIFAEBMERWCYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-8-9-12(2)17-16(11)14(10-15(18)19-17)13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3.
What are the key properties of 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one?
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 102288918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).