(2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol

C12H16Cl2O3 — CID 92953615

IUPAC(2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol
SMILESCOC(OC)(c1ccc(Cl)cc1)[C@H](O)CCCl
InChIInChI=1S/C12H16Cl2O3/c1-16-12(17-2,11(15)7-8-13)9-3-5-10(14)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-/m1/s1
InChIKeySOYDQPROSDZXGA-LLVKDONJSA-N
MW279.16 g/mol
LogP2.78
Rot. Bonds6

About (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol

(2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol (PubChem CID 92953615) has the molecular formula C12H16Cl2O3 and a molecular weight of 279.16 g/mol. Its IUPAC name is (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol.

Molecular Properties

Compound Name(2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol
PubChem CID92953615
Molecular FormulaC12H16Cl2O3
Molecular Weight279.16 g/mol
Exact Mass278.05
IUPAC Name(2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol
SMILESCOC(OC)(c1ccc(Cl)cc1)[C@H](O)CCCl
InChIInChI=1S/C12H16Cl2O3/c1-16-12(17-2,11(15)7-8-13)9-3-5-10(14)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-/m1/s1
InChIKeySOYDQPROSDZXGA-LLVKDONJSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol
CID 103985263
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027660
2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol
CID 66039095
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
1,3-dichloro-2-(4-chlorophenyl)propan-2-ol
CID 12784612
1-(4-ethoxyphenyl)-1,1-dimethoxy-3-methylbutan-2-ol
CID 70446376
1-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
CID 22993491
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
1-(5-chloro-2-fluorophenyl)-4-methoxybutan-1-ol
CID 114853191
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 114151632
2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
CID 84738628

Frequently Asked Questions

What is the IUPAC name of (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol?
The IUPAC name of (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol (CID 92953615) is (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol.
What is the SMILES notation for (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol?
The canonical SMILES for (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol is COC(OC)(c1ccc(Cl)cc1)[C@H](O)CCCl.
What is the InChIKey of (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol?
The InChIKey is SOYDQPROSDZXGA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16Cl2O3/c1-16-12(17-2,11(15)7-8-13)9-3-5-10(14)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol?
(2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol has a molecular weight of 279.16 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-chloro-1-(4-chlorophenyl)-1,1-dimethoxybutan-2-ol is sourced from PubChem (CID 92953615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).