[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol

C12H15ClO2 — CID 65459443

IUPAC[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c13-11-6-10(7-14)4-5-12(11)15-8-9-2-1-3-9/h4-6,9,14H,1-3,7-8H2
InChIKeyQEIKXLHOGIYMRL-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.01
Rot. Bonds4

About [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol

[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol (PubChem CID 65459443) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
PubChem CID65459443
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c13-11-6-10(7-14)4-5-12(11)15-8-9-2-1-3-9/h4-6,9,14H,1-3,7-8H2
InChIKeyQEIKXLHOGIYMRL-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
CID 65459381
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
[4-(cyclopentylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320664
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
CID 107690757
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
3-chloro-4-(cyclohexylmethoxy)benzonitrile
CID 60667232
4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830834
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461132

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol?
The IUPAC name of [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol (CID 65459443) is [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol is OCc1ccc(OCC2CCC2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol?
The InChIKey is QEIKXLHOGIYMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-11-6-10(7-14)4-5-12(11)15-8-9-2-1-3-9/h4-6,9,14H,1-3,7-8H2.
What are the key properties of [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol?
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol has a molecular weight of 226.70 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(cyclobutylmethoxy)phenyl]methanol is sourced from PubChem (CID 65459443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).