[4-(chloromethyl)phenyl]methanol

C8H9ClO — CID 5107660

IUPAC[4-(chloromethyl)phenyl]methanol
SMILESOCc1ccc(CCl)cc1
InChIInChI=1S/C8H9ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2
InChIKeyOGALXJIOJZXBBP-UHFFFAOYSA-N
MW156.61 g/mol
LogP1.92
Rot. Bonds2

About [4-(chloromethyl)phenyl]methanol

[4-(chloromethyl)phenyl]methanol (PubChem CID 5107660) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methanol
PubChem CID5107660
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name[4-(chloromethyl)phenyl]methanol
SMILESOCc1ccc(CCl)cc1
InChIInChI=1S/C8H9ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2
InChIKeyOGALXJIOJZXBBP-UHFFFAOYSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]methanol?
The IUPAC name of [4-(chloromethyl)phenyl]methanol (CID 5107660) is [4-(chloromethyl)phenyl]methanol.
What is the SMILES notation for [4-(chloromethyl)phenyl]methanol?
The canonical SMILES for [4-(chloromethyl)phenyl]methanol is OCc1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]methanol?
The InChIKey is OGALXJIOJZXBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2.
What are the key properties of [4-(chloromethyl)phenyl]methanol?
[4-(chloromethyl)phenyl]methanol has a molecular weight of 156.61 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methanol is sourced from PubChem (CID 5107660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).