8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one

C17H12ClFO4 — CID 146443707

IUPAC8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCO)cc2)oc2c(Cl)ccc(F)c12
InChIInChI=1S/C17H12ClFO4/c18-12-5-6-13(19)16-14(21)9-15(23-17(12)16)10-1-3-11(4-2-10)22-8-7-20/h1-6,9,20H,7-8H2
InChIKeyPPHSLQIZORKHHP-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.62
Rot. Bonds4

About 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one

8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one (PubChem CID 146443707) has the molecular formula C17H12ClFO4 and a molecular weight of 334.73 g/mol. Its IUPAC name is 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one
PubChem CID146443707
Molecular FormulaC17H12ClFO4
Molecular Weight334.73 g/mol
Exact Mass334.04
IUPAC Name8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCO)cc2)oc2c(Cl)ccc(F)c12
InChIInChI=1S/C17H12ClFO4/c18-12-5-6-13(19)16-14(21)9-15(23-17(12)16)10-1-3-11(4-2-10)22-8-7-20/h1-6,9,20H,7-8H2
InChIKeyPPHSLQIZORKHHP-UHFFFAOYSA-N
XLogP3.62
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(8-chloro-7-fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]cyclobutane-1-carbaldehyde
CID 146509825
3-[2-[4-(8-chloro-4-oxochromen-2-yl)phenoxy]ethoxy]propanal
CID 146509837
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
(2R)-2-[2-[4-(8-chloro-4-oxochromen-2-yl)phenoxy]ethoxy]cyclopropane-1-carboxylic acid
CID 146509815
cis-(1S,2R)-2-[2-[4-(8-chloro-4-oxochromen-2-yl)phenoxy]ethoxy]cyclopropane-1-carboxylic acid
CID 146493702
7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
CID 177372719
7-(3-bromopropoxy)-2-(4-chlorophenyl)chromen-4-one
CID 53324174
[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite
CID 146493383
8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one
CID 146443693
3-[2-[4-(8-chloro-4-oxochromen-2-yl)phenoxy]ethoxy]cyclopentane-1-carboxylic acid
CID 146443516
2-(4-chlorophenoxy)ethanol;methanesulfonic acid
CID 71365177
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one?
The IUPAC name of 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one (CID 146443707) is 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one.
What is the SMILES notation for 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one?
The canonical SMILES for 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one is O=c1cc(-c2ccc(OCCO)cc2)oc2c(Cl)ccc(F)c12.
What is the InChIKey of 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one?
The InChIKey is PPHSLQIZORKHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFO4/c18-12-5-6-13(19)16-14(21)9-15(23-17(12)16)10-1-3-11(4-2-10)22-8-7-20/h1-6,9,20H,7-8H2.
What are the key properties of 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one?
8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one has a molecular weight of 334.73 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-2-[4-(2-hydroxyethoxy)phenyl]chromen-4-one is sourced from PubChem (CID 146443707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).