2-chloro-5-methoxy-3-methylphenol

C8H9ClO2 — CID 144544904

IUPAC2-chloro-5-methoxy-3-methylphenol
SMILESCOc1cc(C)c(Cl)c(O)c1
InChIInChI=1S/C8H9ClO2/c1-5-3-6(11-2)4-7(10)8(5)9/h3-4,10H,1-2H3
InChIKeyPIDRWIIUBSWHPE-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.36
Rot. Bonds1

About 2-chloro-5-methoxy-3-methylphenol

2-chloro-5-methoxy-3-methylphenol (PubChem CID 144544904) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 2-chloro-5-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-chloro-5-methoxy-3-methylphenol
PubChem CID144544904
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name2-chloro-5-methoxy-3-methylphenol
SMILESCOc1cc(C)c(Cl)c(O)c1
InChIInChI=1S/C8H9ClO2/c1-5-3-6(11-2)4-7(10)8(5)9/h3-4,10H,1-2H3
InChIKeyPIDRWIIUBSWHPE-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-methoxy-6-methylphenol
CID 122163446
2-chloro-5-methoxy-3-methylbenzoyl chloride
CID 171008342
2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
CID 117306060
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378
3-chloro-2,5-dimethoxyphenol
CID 84661730
1-(bromomethyl)-2-chloro-5-methoxy-3-methylbenzene
CID 22965884
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
CID 117305985
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
2-bromo-3-chloro-5-methoxyphenol
CID 131293794
2-chloro-4-methoxy-N,6-dimethylaniline
CID 23348982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-3-methylphenol?
The IUPAC name of 2-chloro-5-methoxy-3-methylphenol (CID 144544904) is 2-chloro-5-methoxy-3-methylphenol.
What is the SMILES notation for 2-chloro-5-methoxy-3-methylphenol?
The canonical SMILES for 2-chloro-5-methoxy-3-methylphenol is COc1cc(C)c(Cl)c(O)c1.
What is the InChIKey of 2-chloro-5-methoxy-3-methylphenol?
The InChIKey is PIDRWIIUBSWHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-5-3-6(11-2)4-7(10)8(5)9/h3-4,10H,1-2H3.
What are the key properties of 2-chloro-5-methoxy-3-methylphenol?
2-chloro-5-methoxy-3-methylphenol has a molecular weight of 172.61 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-3-methylphenol is sourced from PubChem (CID 144544904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).