1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol

C12H17ClO2 — CID 167646139

IUPAC1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol
SMILESCCC(COC)C(O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO2/c1-3-9(8-15-2)12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8H2,1-2H3
InChIKeyPXAFKUFPQGUMAR-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol

1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol (PubChem CID 167646139) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol
PubChem CID167646139
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol
SMILESCCC(COC)C(O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO2/c1-3-9(8-15-2)12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8H2,1-2H3
InChIKeyPXAFKUFPQGUMAR-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
4-[1-(2-chlorophenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906081

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol (CID 167646139) is 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol is CCC(COC)C(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol?
The InChIKey is PXAFKUFPQGUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-3-9(8-15-2)12(14)10-6-4-5-7-11(10)13/h4-7,9,12,14H,3,8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol?
1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(methoxymethyl)butan-1-ol is sourced from PubChem (CID 167646139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).