3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one

C16H11ClO3 — CID 102296183

IUPAC3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one
SMILESO=c1c(C(O)c2ccc(Cl)cc2)coc2ccccc12
InChIInChI=1S/C16H11ClO3/c17-11-7-5-10(6-8-11)15(18)13-9-20-14-4-2-1-3-12(14)16(13)19/h1-9,15,18H
InChIKeyLJZXIMAHPURJKD-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.53
Rot. Bonds2

About 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one

3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one (PubChem CID 102296183) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one
PubChem CID102296183
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one
SMILESO=c1c(C(O)c2ccc(Cl)cc2)coc2ccccc12
InChIInChI=1S/C16H11ClO3/c17-11-7-5-10(6-8-11)15(18)13-9-20-14-4-2-1-3-12(14)16(13)19/h1-9,15,18H
InChIKeyLJZXIMAHPURJKD-UHFFFAOYSA-N
XLogP3.53
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[hydroxy(pyridin-4-yl)methyl]chromen-4-one
CID 101244744
6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one
CID 54672033
1-benzofuran-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128161
(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
3-[azido(phenyl)methyl]chromen-4-one
CID 11380383
3-(4-chlorophenyl)sulfonylchromen-4-one
CID 154714717
3-[(5-bromo-2-nitrophenyl)-hydroxymethyl]chromen-4-one
CID 101381623
methyl 2-(4-fluorophenyl)-2-(4-oxochromen-3-yl)acetate
CID 154714068
(R)-1-benzofuran-3-yl(thiophen-3-yl)methanol
CID 155933737
benzene;3-hydroxychromen-4-one
CID 175480795
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
3-(2,5-difluorophenyl)chromen-4-one
CID 141334280

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one?
The IUPAC name of 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one (CID 102296183) is 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one is O=c1c(C(O)c2ccc(Cl)cc2)coc2ccccc12.
What is the InChIKey of 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one?
The InChIKey is LJZXIMAHPURJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c17-11-7-5-10(6-8-11)15(18)13-9-20-14-4-2-1-3-12(14)16(13)19/h1-9,15,18H.
What are the key properties of 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one?
3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one has a molecular weight of 286.71 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-hydroxymethyl]chromen-4-one is sourced from PubChem (CID 102296183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).