6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one

C18H15ClO3 — CID 7746601

IUPAC6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C18H15ClO3/c1-11(2)21-18-16(20)14-10-13(19)8-9-15(14)22-17(18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyWWPAKYZBMNHIAB-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.90
Rot. Bonds3

About 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one

6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one (PubChem CID 7746601) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
PubChem CID7746601
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C18H15ClO3/c1-11(2)21-18-16(20)14-10-13(19)8-9-15(14)22-17(18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyWWPAKYZBMNHIAB-UHFFFAOYSA-N
XLogP4.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 21000266
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 14146827
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
CID 46303321
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one
CID 118708576

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one?
The IUPAC name of 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one (CID 7746601) is 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one.
What is the SMILES notation for 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one?
The canonical SMILES for 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one is CC(C)Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one?
The InChIKey is WWPAKYZBMNHIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-11(2)21-18-16(20)14-10-13(19)8-9-15(14)22-17(18)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one?
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one has a molecular weight of 314.77 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one is sourced from PubChem (CID 7746601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).