2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol

C11H14Cl2O2 — CID 116964127

IUPAC2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
SMILESCCC(CO)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C11H14Cl2O2/c1-3-7(6-14)9-4-8(12)5-10(13)11(9)15-2/h4-5,7,14H,3,6H2,1-2H3
InChIKeyWLVMMODMLJBZIR-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.49
Rot. Bonds4

About 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol

2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol (PubChem CID 116964127) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
PubChem CID116964127
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
SMILESCCC(CO)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C11H14Cl2O2/c1-3-7(6-14)9-4-8(12)5-10(13)11(9)15-2/h4-5,7,14H,3,6H2,1-2H3
InChIKeyWLVMMODMLJBZIR-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82267021
4-(5-chloro-2,3,4-trimethoxyphenyl)hexane-1,2-diol
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1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
CID 116830202
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
6-(3,5-dichloro-2-ethoxyphenyl)octan-3-one
CID 83941200
2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol
CID 83941077
2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene
CID 83938767
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
5-(5-chloro-2,3,4-trimethoxyphenyl)heptan-2-one
CID 83925579
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol (CID 116964127) is 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol is CCC(CO)c1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol?
The InChIKey is WLVMMODMLJBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-3-7(6-14)9-4-8(12)5-10(13)11(9)15-2/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol?
2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol has a molecular weight of 249.14 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 116964127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).