3-benzyl-5-chloro-7-hydroxychromen-4-one

C16H11ClO3 — CID 14254485

IUPAC3-benzyl-5-chloro-7-hydroxychromen-4-one
SMILESO=c1c(Cc2ccccc2)coc2cc(O)cc(Cl)c12
InChIInChI=1S/C16H11ClO3/c17-13-7-12(18)8-14-15(13)16(19)11(9-20-14)6-10-4-2-1-3-5-10/h1-5,7-9,18H,6H2
InChIKeyJLVKGVWPPZGSIK-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.74
Rot. Bonds2

About 3-benzyl-5-chloro-7-hydroxychromen-4-one

3-benzyl-5-chloro-7-hydroxychromen-4-one (PubChem CID 14254485) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 3-benzyl-5-chloro-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-benzyl-5-chloro-7-hydroxychromen-4-one
PubChem CID14254485
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name3-benzyl-5-chloro-7-hydroxychromen-4-one
SMILESO=c1c(Cc2ccccc2)coc2cc(O)cc(Cl)c12
InChIInChI=1S/C16H11ClO3/c17-13-7-12(18)8-14-15(13)16(19)11(9-20-14)6-10-4-2-1-3-5-10/h1-5,7-9,18H,6H2
InChIKeyJLVKGVWPPZGSIK-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one
CID 175976298
3-[(4-tert-butylphenyl)methyl]-7-hydroxychromen-4-one
CID 142717412
2-(2-benzyl-4,5-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 127044661
2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid
CID 67811106
3-[(4-benzylpiperazin-1-yl)methyl]-6,7-dihydroxychromen-4-one
CID 11978332
3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 90876444
3,5-dichloro-4-(2-phenylethyl)phenol
CID 67216100
3-benzyl-5-chloro-2-hydroxybenzaldehyde
CID 4769422
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
CID 174407776
[4-(5,7-dihydroxy-4-oxochromen-3-yl)phenyl] 4-benzylpiperazine-1-carboxylate
CID 71664471

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-chloro-7-hydroxychromen-4-one?
The IUPAC name of 3-benzyl-5-chloro-7-hydroxychromen-4-one (CID 14254485) is 3-benzyl-5-chloro-7-hydroxychromen-4-one.
What is the SMILES notation for 3-benzyl-5-chloro-7-hydroxychromen-4-one?
The canonical SMILES for 3-benzyl-5-chloro-7-hydroxychromen-4-one is O=c1c(Cc2ccccc2)coc2cc(O)cc(Cl)c12.
What is the InChIKey of 3-benzyl-5-chloro-7-hydroxychromen-4-one?
The InChIKey is JLVKGVWPPZGSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c17-13-7-12(18)8-14-15(13)16(19)11(9-20-14)6-10-4-2-1-3-5-10/h1-5,7-9,18H,6H2.
What are the key properties of 3-benzyl-5-chloro-7-hydroxychromen-4-one?
3-benzyl-5-chloro-7-hydroxychromen-4-one has a molecular weight of 286.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-chloro-7-hydroxychromen-4-one is sourced from PubChem (CID 14254485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).