1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol

C13H19ClO3 — CID 117400677

IUPAC1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
SMILESCCc1c(CC(C)O)c(Cl)cc(OC)c1OC
InChIInChI=1S/C13H19ClO3/c1-5-9-10(6-8(2)15)11(14)7-12(16-3)13(9)17-4/h7-8,15H,5-6H2,1-4H3
InChIKeyTWMDNFCPCXTLAX-UHFFFAOYSA-N
MW258.74 g/mol
LogP2.84
Rot. Bonds5

About 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol

1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol (PubChem CID 117400677) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
PubChem CID117400677
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
SMILESCCc1c(CC(C)O)c(Cl)cc(OC)c1OC
InChIInChI=1S/C13H19ClO3/c1-5-9-10(6-8(2)15)11(14)7-12(16-3)13(9)17-4/h7-8,15H,5-6H2,1-4H3
InChIKeyTWMDNFCPCXTLAX-UHFFFAOYSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
1-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)propan-2-amine
CID 117372461
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
1-(2,6-dichloro-3,4,5-trimethoxyphenyl)propan-2-ol
CID 101127363
1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
CID 117329700
ethyl 2-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-2-oxoacetate
CID 117484389
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol (CID 117400677) is 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol is CCc1c(CC(C)O)c(Cl)cc(OC)c1OC.
What is the InChIKey of 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol?
The InChIKey is TWMDNFCPCXTLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-5-9-10(6-8(2)15)11(14)7-12(16-3)13(9)17-4/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol?
1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol has a molecular weight of 258.74 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 117400677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).