5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol

C11H15ClO2 — CID 84680663

IUPAC5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
SMILESCOc1c(C(C)C)cc(Cl)c(C)c1O
InChIInChI=1S/C11H15ClO2/c1-6(2)8-5-9(12)7(3)10(13)11(8)14-4/h5-6,13H,1-4H3
InChIKeyXNFZBHIPMKJKMR-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.49
Rot. Bonds2

About 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol

5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol (PubChem CID 84680663) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
PubChem CID84680663
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
SMILESCOc1c(C(C)C)cc(Cl)c(C)c1O
InChIInChI=1S/C11H15ClO2/c1-6(2)8-5-9(12)7(3)10(13)11(8)14-4/h5-6,13H,1-4H3
InChIKeyXNFZBHIPMKJKMR-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117361513
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898
3-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)propanal
CID 117390156
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
CID 117476823
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
CID 167036227
3-chloro-4-methoxy-5-propan-2-ylbenzoic acid
CID 117329554
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117400479
2-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-oxoacetic acid
CID 117394923
1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
CID 130224423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol?
The IUPAC name of 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol (CID 84680663) is 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol.
What is the SMILES notation for 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol?
The canonical SMILES for 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol is COc1c(C(C)C)cc(Cl)c(C)c1O.
What is the InChIKey of 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol?
The InChIKey is XNFZBHIPMKJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-6(2)8-5-9(12)7(3)10(13)11(8)14-4/h5-6,13H,1-4H3.
What are the key properties of 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol?
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol has a molecular weight of 214.69 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol is sourced from PubChem (CID 84680663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).