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

C13H19ClO2 — CID 116863758

IUPAC2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
SMILESCOc1c(C)c(C)cc(C)c1C(O)C(C)Cl
InChIInChI=1S/C13H19ClO2/c1-7-6-8(2)11(12(15)10(4)14)13(16-5)9(7)3/h6,10,12,15H,1-5H3
InChIKeyREZOWDSVFCECJG-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.28
Rot. Bonds3

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

2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol (PubChem CID 116863758) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
PubChem CID116863758
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
SMILESCOc1c(C)c(C)cc(C)c1C(O)C(C)Cl
InChIInChI=1S/C13H19ClO2/c1-7-6-8(2)11(12(15)10(4)14)13(16-5)9(7)3/h6,10,12,15H,1-5H3
InChIKeyREZOWDSVFCECJG-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.28
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-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
CID 116861375
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056
2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116942305
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-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol (CID 116863758) is 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol is COc1c(C)c(C)cc(C)c1C(O)C(C)Cl.
What is the InChIKey of 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is REZOWDSVFCECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-7-6-8(2)11(12(15)10(4)14)13(16-5)9(7)3/h6,10,12,15H,1-5H3.
What are the key properties of 2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol?
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 3.28, 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)propan-1-ol is sourced from PubChem (CID 116863758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).