(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol

C10H12Cl2O2 — CID 140978275

IUPAC(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
SMILESCC[C@@H](O)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-2-9(13)10(14)6-3-4-7(11)8(12)5-6/h3-5,9-10,13-14H,2H2,1H3/t9-,10?/m1/s1
InChIKeyBIIBJASOJBJWDG-YHMJZVADSA-N
MW235.11 g/mol
LogP2.80
Rot. Bonds3

About (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol

(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol (PubChem CID 140978275) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
PubChem CID140978275
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
SMILESCC[C@@H](O)C(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-2-9(13)10(14)6-3-4-7(11)8(12)5-6/h3-5,9-10,13-14H,2H2,1H3/t9-,10?/m1/s1
InChIKeyBIIBJASOJBJWDG-YHMJZVADSA-N
XLogP2.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 82082656
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol?
The IUPAC name of (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol (CID 140978275) is (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol.
What is the SMILES notation for (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol?
The canonical SMILES for (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol is CC[C@@H](O)C(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol?
The InChIKey is BIIBJASOJBJWDG-YHMJZVADSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-2-9(13)10(14)6-3-4-7(11)8(12)5-6/h3-5,9-10,13-14H,2H2,1H3/t9-,10?/m1/s1.
What are the key properties of (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol?
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol has a molecular weight of 235.11 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dichlorophenyl)butane-1,2-diol is sourced from PubChem (CID 140978275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).