2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol

C12H17ClO2 — CID 116863607

IUPAC2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
SMILESCOc1c(C)c(C)cc(C)c1C(O)CCl
InChIInChI=1S/C12H17ClO2/c1-7-5-8(2)11(10(14)6-13)12(15-4)9(7)3/h5,10,14H,6H2,1-4H3
InChIKeyITYDPTKKUKCAEJ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol

2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol (PubChem CID 116863607) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
PubChem CID116863607
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
SMILESCOc1c(C)c(C)cc(C)c1C(O)CCl
InChIInChI=1S/C12H17ClO2/c1-7-5-8(2)11(10(14)6-13)12(15-4)9(7)3/h5,10,14H,6H2,1-4H3
InChIKeyITYDPTKKUKCAEJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.89
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-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
CID 116861375
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 84704189
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952888
2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanethiol
CID 116830729
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
2-hydroxy-1-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propan-1-one
CID 116826840
3-(2-methoxy-3,4,6-trimethylphenyl)-3-(methylamino)propanoic acid
CID 116953051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol (CID 116863607) is 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol is COc1c(C)c(C)cc(C)c1C(O)CCl.
What is the InChIKey of 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol?
The InChIKey is ITYDPTKKUKCAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-7-5-8(2)11(10(14)6-13)12(15-4)9(7)3/h5,10,14H,6H2,1-4H3.
What are the key properties of 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol?
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol has a molecular weight of 228.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 116863607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).