2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol

C11H14Cl2O2 — CID 62787833

IUPAC2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-11(14,5-6-15-2)9-7-8(12)3-4-10(9)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLXTPPEDUTDCAIP-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.24
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol

2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol (PubChem CID 62787833) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol
PubChem CID62787833
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-11(14,5-6-15-2)9-7-8(12)3-4-10(9)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLXTPPEDUTDCAIP-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
CID 62773402
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
methyl 3-(2,5-dichlorophenyl)-2-ethyl-3-hydroxybutanoate
CID 62394589
2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol
CID 82819300
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549
2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile
CID 117049997
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
CID 66091467
1-(2,5-dichlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 115807317

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol (CID 62787833) is 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol is COCCC(C)(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol?
The InChIKey is LXTPPEDUTDCAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-11(14,5-6-15-2)9-7-8(12)3-4-10(9)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol?
2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol has a molecular weight of 249.14 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol is sourced from PubChem (CID 62787833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).