2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol

C12H16Cl2O — CID 66059189

IUPAC2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O/c1-8(2)10(7-15)5-9-3-4-11(13)6-12(9)14/h3-4,6,8,10,15H,5,7H2,1-2H3
InChIKeyUDMXFNNVYMGUJK-UHFFFAOYSA-N
MW247.16 g/mol
LogP3.80
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol

2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol (PubChem CID 66059189) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
PubChem CID66059189
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O/c1-8(2)10(7-15)5-9-3-4-11(13)6-12(9)14/h3-4,6,8,10,15H,5,7H2,1-2H3
InChIKeyUDMXFNNVYMGUJK-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381
[4-[3-(2,4-dichlorophenyl)-2-methylpropyl]phenyl]methanol
CID 142816012
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
3-(2,4-dichlorophenyl)-2-methylpropanal
CID 91884147
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol (CID 66059189) is 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol is CC(C)C(CO)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is UDMXFNNVYMGUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c1-8(2)10(7-15)5-9-3-4-11(13)6-12(9)14/h3-4,6,8,10,15H,5,7H2,1-2H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol?
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 247.16 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 66059189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).