(2S)-2-(3,4-dichlorophenyl)butan-2-ol

C10H12Cl2O — CID 94471655

IUPAC(2S)-2-(3,4-dichlorophenyl)butan-2-ol
SMILESCC[C@](C)(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O/c1-3-10(2,13)7-4-5-8(11)9(12)6-7/h4-6,13H,3H2,1-2H3/t10-/m0/s1
InChIKeySZFLMSXKIZPHKN-JTQLQIEISA-N
MW219.11 g/mol
LogP3.61
Rot. Bonds2

About (2S)-2-(3,4-dichlorophenyl)butan-2-ol

(2S)-2-(3,4-dichlorophenyl)butan-2-ol (PubChem CID 94471655) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)butan-2-ol
PubChem CID94471655
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name(2S)-2-(3,4-dichlorophenyl)butan-2-ol
SMILESCC[C@](C)(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O/c1-3-10(2,13)7-4-5-8(11)9(12)6-7/h4-6,13H,3H2,1-2H3/t10-/m0/s1
InChIKeySZFLMSXKIZPHKN-JTQLQIEISA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-5-(3,4-dichlorophenyl)hexane-1,2,3,5-tetrol
CID 155706322
ethyl 4-(3,4-dichlorophenyl)-4-hydroxypentanoate
CID 66321487
1,1,4,4-tetrakis(3,4-dichlorophenyl)butane-1,4-diol
CID 154188534
2-(3-tert-butylphenyl)butan-2-ol
CID 91655645
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-2-ol
CID 65145380
tert-butyl N-[2-(3,4-dichlorophenyl)-2-hydroxypropyl]carbamate
CID 57032280
6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol
CID 123305021
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)butan-2-ol?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)butan-2-ol (CID 94471655) is (2S)-2-(3,4-dichlorophenyl)butan-2-ol.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)butan-2-ol?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)butan-2-ol is CC[C@](C)(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)butan-2-ol?
The InChIKey is SZFLMSXKIZPHKN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-3-10(2,13)7-4-5-8(11)9(12)6-7/h4-6,13H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)butan-2-ol?
(2S)-2-(3,4-dichlorophenyl)butan-2-ol has a molecular weight of 219.11 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)butan-2-ol is sourced from PubChem (CID 94471655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).