6-(6-chlorohexoxy)-3-hydroxychromen-4-one

C15H17ClO4 — CID 18959683

IUPAC6-(6-chlorohexoxy)-3-hydroxychromen-4-one
SMILESO=c1c(O)coc2ccc(OCCCCCCCl)cc12
InChIInChI=1S/C15H17ClO4/c16-7-3-1-2-4-8-19-11-5-6-14-12(9-11)15(18)13(17)10-20-14/h5-6,9-10,17H,1-4,7-8H2
InChIKeyPEQRLYRVXXXQLL-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.68
Rot. Bonds7

About 6-(6-chlorohexoxy)-3-hydroxychromen-4-one

6-(6-chlorohexoxy)-3-hydroxychromen-4-one (PubChem CID 18959683) has the molecular formula C15H17ClO4 and a molecular weight of 296.75 g/mol. Its IUPAC name is 6-(6-chlorohexoxy)-3-hydroxychromen-4-one.

Molecular Properties

Compound Name6-(6-chlorohexoxy)-3-hydroxychromen-4-one
PubChem CID18959683
Molecular FormulaC15H17ClO4
Molecular Weight296.75 g/mol
Exact Mass296.08
IUPAC Name6-(6-chlorohexoxy)-3-hydroxychromen-4-one
SMILESO=c1c(O)coc2ccc(OCCCCCCCl)cc12
InChIInChI=1S/C15H17ClO4/c16-7-3-1-2-4-8-19-11-5-6-14-12(9-11)15(18)13(17)10-20-14/h5-6,9-10,17H,1-4,7-8H2
InChIKeyPEQRLYRVXXXQLL-UHFFFAOYSA-N
XLogP3.68
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis(6-aminohexoxy)xanthen-9-one
CID 71716712
6-amino-3-hydroxychromen-4-one
CID 142653989
[7-(3-chloropropoxy)-4-oxochromen-3-yl]methyl acetate
CID 10591084
3-hydroxy-6-[2-(4-methylphenyl)ethyl]chromen-4-one
CID 141286968
benzene;3-hydroxychromen-4-one
CID 175480795
2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
CID 174407776
6-(5-morpholin-4-ylpentoxy)chromen-4-one
CID 162664969
1,4-bis(3-chloropropoxy)benzene
CID 20523958
6-decoxy-3-hydroxy-4-methoxychromen-2-one
CID 19929351
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
1-hydroxy-7-prop-2-enoxyxanthen-9-one
CID 163066969
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737

Frequently Asked Questions

What is the IUPAC name of 6-(6-chlorohexoxy)-3-hydroxychromen-4-one?
The IUPAC name of 6-(6-chlorohexoxy)-3-hydroxychromen-4-one (CID 18959683) is 6-(6-chlorohexoxy)-3-hydroxychromen-4-one.
What is the SMILES notation for 6-(6-chlorohexoxy)-3-hydroxychromen-4-one?
The canonical SMILES for 6-(6-chlorohexoxy)-3-hydroxychromen-4-one is O=c1c(O)coc2ccc(OCCCCCCCl)cc12.
What is the InChIKey of 6-(6-chlorohexoxy)-3-hydroxychromen-4-one?
The InChIKey is PEQRLYRVXXXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO4/c16-7-3-1-2-4-8-19-11-5-6-14-12(9-11)15(18)13(17)10-20-14/h5-6,9-10,17H,1-4,7-8H2.
What are the key properties of 6-(6-chlorohexoxy)-3-hydroxychromen-4-one?
6-(6-chlorohexoxy)-3-hydroxychromen-4-one has a molecular weight of 296.75 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chlorohexoxy)-3-hydroxychromen-4-one is sourced from PubChem (CID 18959683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).