[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol

C9H11ClO2 — CID 58348907

IUPAC[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol
SMILESOCc1ccc(CCl)cc1CO
InChIInChI=1S/C9H11ClO2/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3,11-12H,4-6H2
InChIKeyZPHXKKROCCGBPG-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.41
Rot. Bonds3

About [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol

[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol (PubChem CID 58348907) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol
PubChem CID58348907
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol
SMILESOCc1ccc(CCl)cc1CO
InChIInChI=1S/C9H11ClO2/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3,11-12H,4-6H2
InChIKeyZPHXKKROCCGBPG-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol
CID 23008874
(2,4-diethylphenyl)methanol
CID 21414896
1,4-bis(chloromethyl)-2-iodobenzene
CID 134821742
2,4-bis(chloromethyl)-1-fluorobenzene
CID 165357761
2-(3-bromopropyl)-5-(chloromethyl)phenol
CID 131308340
2-(chloromethyl)triphenylene
CID 154200768
1,4-bis(chloromethyl)-2-pentylbenzene
CID 69328876
4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene
CID 143343154
[3,4-bis(aminomethyl)phenyl]methanol
CID 151028511
[5-(hydroxymethyl)azulen-6-yl]methanol
CID 130131537
4-(chloromethyl)-2-methyl-1-propylbenzene
CID 91499094
[2-[3-(chloromethyl)phenyl]-3,5-difluorophenyl]methanol
CID 174750208

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol (CID 58348907) is [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol is OCc1ccc(CCl)cc1CO.
What is the InChIKey of [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol?
The InChIKey is ZPHXKKROCCGBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3,11-12H,4-6H2.
What are the key properties of [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol?
[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol has a molecular weight of 186.64 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 58348907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).