1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol

C13H18Cl2O — CID 63046678

IUPAC1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2O/c1-13(2,3)8-10(16)6-9-4-5-11(14)12(15)7-9/h4-5,7,10,16H,6,8H2,1-3H3
InChIKeyICKUEDSZQWJBCR-UHFFFAOYSA-N
MW261.19 g/mol
LogP4.33
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol

1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol (PubChem CID 63046678) has the molecular formula C13H18Cl2O and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
PubChem CID63046678
Molecular FormulaC13H18Cl2O
Molecular Weight261.19 g/mol
Exact Mass260.07
IUPAC Name1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2O/c1-13(2,3)8-10(16)6-9-4-5-11(14)12(15)7-9/h4-5,7,10,16H,6,8H2,1-3H3
InChIKeyICKUEDSZQWJBCR-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 63016982
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
CID 65130613
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089799
1-[(3-chloro-4-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 113338450
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
tert-butyl 2-amino-3-(3,4-dichlorophenyl)propanoate
CID 83226012
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol (CID 63046678) is 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol?
The InChIKey is ICKUEDSZQWJBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O/c1-13(2,3)8-10(16)6-9-4-5-11(14)12(15)7-9/h4-5,7,10,16H,6,8H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol?
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol has a molecular weight of 261.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 63046678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).