2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol

C10H12Cl2O2 — CID 116863542

IUPAC2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)c(Cl)cc1C(O)CCl
InChIInChI=1S/C10H12Cl2O2/c1-6-3-10(14-2)7(4-8(6)12)9(13)5-11/h3-4,9,13H,5H2,1-2H3
InChIKeyNXZBDANPERJIPH-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol

2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol (PubChem CID 116863542) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
PubChem CID116863542
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)c(Cl)cc1C(O)CCl
InChIInChI=1S/C10H12Cl2O2/c1-6-3-10(14-2)7(4-8(6)12)9(13)5-11/h3-4,9,13H,5H2,1-2H3
InChIKeyNXZBDANPERJIPH-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.93
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

1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831112
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
CID 116836167
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine
CID 116961483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol (CID 116863542) is 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol is COc1cc(C)c(Cl)cc1C(O)CCl.
What is the InChIKey of 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol?
The InChIKey is NXZBDANPERJIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-6-3-10(14-2)7(4-8(6)12)9(13)5-11/h3-4,9,13H,5H2,1-2H3.
What are the key properties of 2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol?
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol has a molecular weight of 235.11 g/mol, XLogP of 2.93, 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-2-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 116863542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).