5-tert-butyl-4-phenylchromen-2-one

C19H18O2 — CID 102302945

IUPAC5-tert-butyl-4-phenylchromen-2-one
SMILESCC(C)(C)c1cccc2oc(=O)cc(-c3ccccc3)c12
InChIInChI=1S/C19H18O2/c1-19(2,3)15-10-7-11-16-18(15)14(12-17(20)21-16)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeyPAJAUYQNHQXJDZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.76
Rot. Bonds1

About 5-tert-butyl-4-phenylchromen-2-one

5-tert-butyl-4-phenylchromen-2-one (PubChem CID 102302945) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-tert-butyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name5-tert-butyl-4-phenylchromen-2-one
PubChem CID102302945
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name5-tert-butyl-4-phenylchromen-2-one
SMILESCC(C)(C)c1cccc2oc(=O)cc(-c3ccccc3)c12
InChIInChI=1S/C19H18O2/c1-19(2,3)15-10-7-11-16-18(15)14(12-17(20)21-16)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeyPAJAUYQNHQXJDZ-UHFFFAOYSA-N
XLogP4.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-4-[4-(4-phenylphenyl)phenyl]chromen-2-one
CID 11235769
2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
CID 707839
1-tert-butyldibenzofuran
CID 59078665
5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one
CID 6540169
5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
CID 71549486
2,5-diphenylchromen-4-one
CID 71424268
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
6-methyl-4,5-diphenylpyran-2-one
CID 71359580
5-phenylchromen-2-one
CID 90255348
4-(5-phenylthiophen-2-yl)chromen-2-one
CID 135259683
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-phenylchromen-2-one?
The IUPAC name of 5-tert-butyl-4-phenylchromen-2-one (CID 102302945) is 5-tert-butyl-4-phenylchromen-2-one.
What is the SMILES notation for 5-tert-butyl-4-phenylchromen-2-one?
The canonical SMILES for 5-tert-butyl-4-phenylchromen-2-one is CC(C)(C)c1cccc2oc(=O)cc(-c3ccccc3)c12.
What is the InChIKey of 5-tert-butyl-4-phenylchromen-2-one?
The InChIKey is PAJAUYQNHQXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-19(2,3)15-10-7-11-16-18(15)14(12-17(20)21-16)13-8-5-4-6-9-13/h4-12H,1-3H3.
What are the key properties of 5-tert-butyl-4-phenylchromen-2-one?
5-tert-butyl-4-phenylchromen-2-one has a molecular weight of 278.35 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-phenylchromen-2-one is sourced from PubChem (CID 102302945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).