4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol

C12H17ClO2 — CID 105486089

IUPAC4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCOC(C)(CO)CCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClO2/c1-12(9-14,15-2)7-6-10-4-3-5-11(13)8-10/h3-5,8,14H,6-7,9H2,1-2H3
InChIKeyUHRIBXJZBPLQRH-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.67
Rot. Bonds5

About 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol

4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol (PubChem CID 105486089) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
PubChem CID105486089
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCOC(C)(CO)CCc1cccc(Cl)c1
InChIInChI=1S/C12H17ClO2/c1-12(9-14,15-2)7-6-10-4-3-5-11(13)8-10/h3-5,8,14H,6-7,9H2,1-2H3
InChIKeyUHRIBXJZBPLQRH-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-(2,2-dimethoxypropyl)benzene
CID 102600712
4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
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CID 115656052
3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 105468174
2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide
CID 94698283
2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62517659
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
6-(3-chlorophenyl)-2,2-dimethylhexan-3-one
CID 64505258
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol?
The IUPAC name of 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol (CID 105486089) is 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol is COC(C)(CO)CCc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol?
The InChIKey is UHRIBXJZBPLQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-12(9-14,15-2)7-6-10-4-3-5-11(13)8-10/h3-5,8,14H,6-7,9H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol?
4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 105486089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).