(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol

C12H16Cl2O2 — CID 147495518

IUPAC(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
SMILESCCCC[C@@H](O)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-2-3-4-11(15)12(16)9-6-5-8(13)7-10(9)14/h5-7,11-12,15-16H,2-4H2,1H3/t11-,12?/m1/s1
InChIKeyFGJGOWLECMAOBT-JHJMLUEUSA-N
MW263.16 g/mol
LogP3.58
Rot. Bonds5

About (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol

(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol (PubChem CID 147495518) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol.

Molecular Properties

Compound Name(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
PubChem CID147495518
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
SMILESCCCC[C@@H](O)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2O2/c1-2-3-4-11(15)12(16)9-6-5-8(13)7-10(9)14/h5-7,11-12,15-16H,2-4H2,1H3/t11-,12?/m1/s1
InChIKeyFGJGOWLECMAOBT-JHJMLUEUSA-N
XLogP3.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
[1-(2,4-dichlorophenyl)-2-hydroxyhexyl] carbamate
CID 56596318
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-ol
CID 82313293
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
CID 141179146
1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
CID 114281101
(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
CID 66633917
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
CID 15778521

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol?
The IUPAC name of (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol (CID 147495518) is (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol.
What is the SMILES notation for (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol?
The canonical SMILES for (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol is CCCC[C@@H](O)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol?
The InChIKey is FGJGOWLECMAOBT-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-2-3-4-11(15)12(16)9-6-5-8(13)7-10(9)14/h5-7,11-12,15-16H,2-4H2,1H3/t11-,12?/m1/s1.
What are the key properties of (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol?
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol has a molecular weight of 263.16 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol is sourced from PubChem (CID 147495518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).