8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one

C20H17ClO4 — CID 146443693

IUPAC8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCC3CC(O)C3)cc2)oc2c(Cl)cccc12
InChIInChI=1S/C20H17ClO4/c21-17-3-1-2-16-18(23)10-19(25-20(16)17)13-4-6-15(7-5-13)24-11-12-8-14(22)9-12/h1-7,10,12,14,22H,8-9,11H2
InChIKeyUSGWJZBDLRNCLY-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.26
Rot. Bonds4

About 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one

8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one (PubChem CID 146443693) has the molecular formula C20H17ClO4 and a molecular weight of 356.81 g/mol. Its IUPAC name is 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one
PubChem CID146443693
Molecular FormulaC20H17ClO4
Molecular Weight356.81 g/mol
Exact Mass356.08
IUPAC Name8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCC3CC(O)C3)cc2)oc2c(Cl)cccc12
InChIInChI=1S/C20H17ClO4/c21-17-3-1-2-16-18(23)10-19(25-20(16)17)13-4-6-15(7-5-13)24-11-12-8-14(22)9-12/h1-7,10,12,14,22H,8-9,11H2
InChIKeyUSGWJZBDLRNCLY-UHFFFAOYSA-N
XLogP4.26
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite
CID 146493383
(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
3-[2-[4-(8-chloro-4-oxochromen-2-yl)phenoxy]ethoxy]cyclopentane-1-carboxylic acid
CID 146443516
3-[2-[4-(8-chloro-4-oxochromen-2-yl)phenoxy]ethoxy]propanal
CID 146509837
2-(4-bromophenyl)-8-chlorochromen-4-one
CID 164809854
4-(8-chloro-4-oxochromen-2-yl)benzoic acid
CID 82043700
methyl 3-[3-[4-(8-chloro-4-oxochromen-2-yl)phenoxy]-2-hydroxypropoxy]benzoate
CID 146443560
8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 154647308
8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one
CID 146487159
3-[5-(8-chloro-4-oxochromen-2-yl)-2-methoxyphenoxy]propanoic acid
CID 154647322
3-[2-[4-(8-chloro-7-fluoro-4-oxochromen-2-yl)phenoxy]ethoxy]cyclobutane-1-carbaldehyde
CID 146509825

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one?
The IUPAC name of 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one (CID 146443693) is 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one.
What is the SMILES notation for 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one?
The canonical SMILES for 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one is O=c1cc(-c2ccc(OCC3CC(O)C3)cc2)oc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one?
The InChIKey is USGWJZBDLRNCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO4/c21-17-3-1-2-16-18(23)10-19(25-20(16)17)13-4-6-15(7-5-13)24-11-12-8-14(22)9-12/h1-7,10,12,14,22H,8-9,11H2.
What are the key properties of 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one?
8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one has a molecular weight of 356.81 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[4-[(3-hydroxycyclobutyl)methoxy]phenyl]chromen-4-one is sourced from PubChem (CID 146443693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).