1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol

C12H17ClO2 — CID 104817046

IUPAC1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1cccc(Cl)c1C(O)CC(C)C
InChIInChI=1S/C12H17ClO2/c1-8(2)7-10(14)12-9(13)5-4-6-11(12)15-3/h4-6,8,10,14H,7H2,1-3H3
InChIKeyMVRHJLWFBPLWAW-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.43
Rot. Bonds4

About 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol

1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol (PubChem CID 104817046) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
PubChem CID104817046
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1cccc(Cl)c1C(O)CC(C)C
InChIInChI=1S/C12H17ClO2/c1-8(2)7-10(14)12-9(13)5-4-6-11(12)15-3/h4-6,8,10,14H,7H2,1-3H3
InChIKeyMVRHJLWFBPLWAW-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
CID 104817350
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 113456462
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
1-(2-chloro-6-methoxyphenyl)-2-pyridin-2-ylethanol
CID 113456442
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
CID 130848215
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
3-(2-chloro-6-methoxyphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 104819043
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817177

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol (CID 104817046) is 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol is COc1cccc(Cl)c1C(O)CC(C)C.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is MVRHJLWFBPLWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-8(2)7-10(14)12-9(13)5-4-6-11(12)15-3/h4-6,8,10,14H,7H2,1-3H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol?
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 104817046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).