5-chloro-4-(chloromethyl)-2-methoxyphenol

C8H8Cl2O2 — CID 131191143

IUPAC5-chloro-4-(chloromethyl)-2-methoxyphenol
SMILESCOc1cc(CCl)c(Cl)cc1O
InChIInChI=1S/C8H8Cl2O2/c1-12-8-2-5(4-9)6(10)3-7(8)11/h2-3,11H,4H2,1H3
InChIKeyALAQOGDRXZEBNY-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-4-(chloromethyl)-2-methoxyphenol

5-chloro-4-(chloromethyl)-2-methoxyphenol (PubChem CID 131191143) has the molecular formula C8H8Cl2O2 and a molecular weight of 207.06 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-methoxyphenol
PubChem CID131191143
Molecular FormulaC8H8Cl2O2
Molecular Weight207.06 g/mol
Exact Mass205.99
IUPAC Name5-chloro-4-(chloromethyl)-2-methoxyphenol
SMILESCOc1cc(CCl)c(Cl)cc1O
InChIInChI=1S/C8H8Cl2O2/c1-12-8-2-5(4-9)6(10)3-7(8)11/h2-3,11H,4H2,1H3
InChIKeyALAQOGDRXZEBNY-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.79
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

5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
2,5-dichloro-4-(chloromethyl)phenol
CID 130056378
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
3-(2-chloro-5-hydroxy-4-methoxyphenyl)propanal
CID 117305892
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011
methyl 4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 126840899
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
5-chloro-2-methoxy-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenol
CID 126840898
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-methoxyphenol?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-methoxyphenol (CID 131191143) is 5-chloro-4-(chloromethyl)-2-methoxyphenol.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-methoxyphenol?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-methoxyphenol is COc1cc(CCl)c(Cl)cc1O.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-methoxyphenol?
The InChIKey is ALAQOGDRXZEBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2/c1-12-8-2-5(4-9)6(10)3-7(8)11/h2-3,11H,4H2,1H3.
What are the key properties of 5-chloro-4-(chloromethyl)-2-methoxyphenol?
5-chloro-4-(chloromethyl)-2-methoxyphenol has a molecular weight of 207.06 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-methoxyphenol is sourced from PubChem (CID 131191143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).