1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol

C13H19ClO3 — CID 116751889

IUPAC1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H19ClO3/c1-5-13(2,17-4)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,12,15H,5H2,1-4H3
InChIKeyPXNVZTZIKSVTMK-UHFFFAOYSA-N
MW258.74 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol

1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol (PubChem CID 116751889) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
PubChem CID116751889
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H19ClO3/c1-5-13(2,17-4)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,12,15H,5H2,1-4H3
InChIKeyPXNVZTZIKSVTMK-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79701026
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79700570
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752073
(1S,2R)-1-amino-1-(4-chloro-3-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171270141
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
[1-(3,4-dimethoxyphenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274332
1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 79697692
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol (CID 116751889) is 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol is CCC(C)(OC)C(O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol?
The InChIKey is PXNVZTZIKSVTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-5-13(2,17-4)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,12,15H,5H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol?
1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol has a molecular weight of 258.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 116751889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).