2-tert-butyl-3-phenylchromen-4-one

C19H18O2 — CID 159840015

IUPAC2-tert-butyl-3-phenylchromen-4-one
SMILESCC(C)(C)c1oc2ccccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C19H18O2/c1-19(2,3)18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3
InChIKeyVUDYKRGMKGWBCM-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.76
Rot. Bonds1

About 2-tert-butyl-3-phenylchromen-4-one

2-tert-butyl-3-phenylchromen-4-one (PubChem CID 159840015) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-tert-butyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-tert-butyl-3-phenylchromen-4-one
PubChem CID159840015
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-tert-butyl-3-phenylchromen-4-one
SMILESCC(C)(C)c1oc2ccccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C19H18O2/c1-19(2,3)18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3
InChIKeyVUDYKRGMKGWBCM-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

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
propane;xanthen-9-one
CID 90876458
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
1,2-dimethyl-3-phenylxanthen-9-one
CID 10732980
2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
2-ethyl-3-(4-fluorophenyl)chromen-4-one
CID 53234762
1-tert-butyl-3-phenyl-2-benzofuran
CID 13213879
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
2-[(E)-2-(2,3-dimethylphenyl)ethenyl]-3-phenylchromen-4-one
CID 58451608
4-amino-3-phenylchromen-2-one
CID 617040
2-(4-oxo-3-phenylchromen-2-yl)but-3-enoic acid
CID 68641528
(2-tert-butyl-4,5-diphenylfuran-3-yl) acetate
CID 11336580

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-phenylchromen-4-one?
The IUPAC name of 2-tert-butyl-3-phenylchromen-4-one (CID 159840015) is 2-tert-butyl-3-phenylchromen-4-one.
What is the SMILES notation for 2-tert-butyl-3-phenylchromen-4-one?
The canonical SMILES for 2-tert-butyl-3-phenylchromen-4-one is CC(C)(C)c1oc2ccccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-3-phenylchromen-4-one?
The InChIKey is VUDYKRGMKGWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-19(2,3)18-16(13-9-5-4-6-10-13)17(20)14-11-7-8-12-15(14)21-18/h4-12H,1-3H3.
What are the key properties of 2-tert-butyl-3-phenylchromen-4-one?
2-tert-butyl-3-phenylchromen-4-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 2-tert-butyl-3-phenylchromen-4-one is sourced from PubChem (CID 159840015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).