3-(3,4-dichlorophenyl)-3-methylbutan-2-ol

C11H14Cl2O — CID 66740002

IUPAC3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O/c1-7(14)11(2,3)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3
InChIKeyJUOHOXPVUDOPRN-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.65
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol

3-(3,4-dichlorophenyl)-3-methylbutan-2-ol (PubChem CID 66740002) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
PubChem CID66740002
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O/c1-7(14)11(2,3)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3
InChIKeyJUOHOXPVUDOPRN-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588737
4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol
CID 21293255
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
(5S)-5-(3,4-dichlorophenyl)hexane-1,2,3,5-tetrol
CID 155706322
(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol
CID 66792507
1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine
CID 54046222
2-(3,4-dichlorophenyl)-2-methylpropanoate
CID 51664096
1,2-dichloro-4-(trichloromethyl)benzene
CID 25608
1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 55187137
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol (CID 66740002) is 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol is CC(O)C(C)(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol?
The InChIKey is JUOHOXPVUDOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-7(14)11(2,3)8-4-5-9(12)10(13)6-8/h4-7,14H,1-3H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol?
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol has a molecular weight of 233.14 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 66740002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).