1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol

C12H15ClO2 — CID 167839312

IUPAC1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol
SMILESCc1ccc(Cl)cc1OCC1(O)CCC1
InChIInChI=1S/C12H15ClO2/c1-9-3-4-10(13)7-11(9)15-8-12(14)5-2-6-12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyXVURBJXNRLVQIM-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.94
Rot. Bonds3

About 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol

1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol (PubChem CID 167839312) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol
PubChem CID167839312
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol
SMILESCc1ccc(Cl)cc1OCC1(O)CCC1
InChIInChI=1S/C12H15ClO2/c1-9-3-4-10(13)7-11(9)15-8-12(14)5-2-6-12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyXVURBJXNRLVQIM-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65208696
1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
CID 155896822
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
3-[(5-chloro-2-methylphenoxy)methyl]azetidine
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CID 65213115
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol
CID 65212527
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
CID 79173911
1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol
CID 112560845
ethyl 4-[(4-chloro-2-methoxyphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 167919736
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
CID 70796637

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol (CID 167839312) is 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol is Cc1ccc(Cl)cc1OCC1(O)CCC1.
What is the InChIKey of 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol?
The InChIKey is XVURBJXNRLVQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-9-3-4-10(13)7-11(9)15-8-12(14)5-2-6-12/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol?
1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol has a molecular weight of 226.70 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol is sourced from PubChem (CID 167839312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).