2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol

C11H14Cl2O2 — CID 116863671

IUPAC2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C(O)C(C)Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-6-4-10(15-3)9(13)5-8(6)11(14)7(2)12/h4-5,7,11,14H,1-3H3
InChIKeyDRRVIKNDVMAGEN-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol

2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol (PubChem CID 116863671) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
PubChem CID116863671
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C(O)C(C)Cl)cc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-6-4-10(15-3)9(13)5-8(6)11(14)7(2)12/h4-5,7,11,14H,1-3H3
InChIKeyDRRVIKNDVMAGEN-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 82300217
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 116836078
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
CID 117291182
2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol
CID 116857246
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
CID 116851014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol (CID 116863671) is 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol is COc1cc(C)c(C(O)C(C)Cl)cc1Cl.
What is the InChIKey of 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol?
The InChIKey is DRRVIKNDVMAGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-6-4-10(15-3)9(13)5-8(6)11(14)7(2)12/h4-5,7,11,14H,1-3H3.
What are the key properties of 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol?
2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol has a molecular weight of 249.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 116863671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).