3-chloro-2-(cyclobutylmethoxy)-5-methylphenol

C12H15ClO2 — CID 84690826

IUPAC3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
SMILESCc1cc(O)c(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8-5-10(13)12(11(14)6-8)15-7-9-3-2-4-9/h5-6,9,14H,2-4,7H2,1H3
InChIKeyQINALAFNCCPAGM-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.53
Rot. Bonds3

About 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol

3-chloro-2-(cyclobutylmethoxy)-5-methylphenol (PubChem CID 84690826) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol.

Molecular Properties

Compound Name3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
PubChem CID84690826
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
SMILESCc1cc(O)c(OCC2CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-8-5-10(13)12(11(14)6-8)15-7-9-3-2-4-9/h5-6,9,14H,2-4,7H2,1H3
InChIKeyQINALAFNCCPAGM-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone
CID 117384912
(E)-3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]prop-2-en-1-amine
CID 117418834
ethyl 2-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetate
CID 117497861
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
CID 84700906
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
2-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]piperidine
CID 117449166
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol?
The IUPAC name of 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol (CID 84690826) is 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol.
What is the SMILES notation for 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol?
The canonical SMILES for 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol is Cc1cc(O)c(OCC2CCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol?
The InChIKey is QINALAFNCCPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8-5-10(13)12(11(14)6-8)15-7-9-3-2-4-9/h5-6,9,14H,2-4,7H2,1H3.
What are the key properties of 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol?
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol has a molecular weight of 226.70 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(cyclobutylmethoxy)-5-methylphenol is sourced from PubChem (CID 84690826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).