1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol

C12H17ClO2 — CID 103027660

IUPAC1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClO2/c1-12(2,15-3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3
InChIKeyCMXIKDRMUCONKG-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol

1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 103027660) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
PubChem CID103027660
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClO2/c1-12(2,15-3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3
InChIKeyCMXIKDRMUCONKG-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413
1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027501
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111336418
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 58172166
CID 89213423
CID 89213423
1-(4-chlorophenyl)-2-trimethylsilylethanol
CID 15709623
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol (CID 103027660) is 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is CMXIKDRMUCONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-12(2,15-3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol?
1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103027660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).