(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol

C11H14Cl2O3 — CID 137375691

IUPAC(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol
SMILESCOCO[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](C)O
InChIInChI=1S/C11H14Cl2O3/c1-7(14)11(16-6-15-2)8-3-4-9(12)10(13)5-8/h3-5,7,11,14H,6H2,1-2H3/t7-,11+/m1/s1
InChIKeyJFRVUQMGSYDTMC-HQJQHLMTSA-N
MW265.14 g/mol
LogP3.04
Rot. Bonds5

About (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol

(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol (PubChem CID 137375691) has the molecular formula C11H14Cl2O3 and a molecular weight of 265.14 g/mol. Its IUPAC name is (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol
PubChem CID137375691
Molecular FormulaC11H14Cl2O3
Molecular Weight265.14 g/mol
Exact Mass264.03
IUPAC Name(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol
SMILESCOCO[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](C)O
InChIInChI=1S/C11H14Cl2O3/c1-7(14)11(16-6-15-2)8-3-4-9(12)10(13)5-8/h3-5,7,11,14H,6H2,1-2H3/t7-,11+/m1/s1
InChIKeyJFRVUQMGSYDTMC-HQJQHLMTSA-N
XLogP3.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375754
1-(2,6-dichlorophenyl)-1-(methoxymethoxy)-3-methylbutan-2-ol
CID 137375637
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
1-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82315777
amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol
CID 163943329
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol?
The IUPAC name of (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol (CID 137375691) is (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol?
The canonical SMILES for (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol is COCO[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](C)O.
What is the InChIKey of (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol?
The InChIKey is JFRVUQMGSYDTMC-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H14Cl2O3/c1-7(14)11(16-6-15-2)8-3-4-9(12)10(13)5-8/h3-5,7,11,14H,6H2,1-2H3/t7-,11+/m1/s1.
What are the key properties of (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol?
(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol has a molecular weight of 265.14 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol is sourced from PubChem (CID 137375691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).