anisole;[4-(chloromethyl)phenyl]methanol

C15H17ClO2 — CID 163893222

IUPACanisole;[4-(chloromethyl)phenyl]methanol
SMILESCOc1ccccc1.OCc1ccc(CCl)cc1
InChIInChI=1S/C8H9ClO.C7H8O/c9-5-7-1-3-8(6-10)4-2-7;1-8-7-5-3-2-4-6-7/h1-4,10H,5-6H2;2-6H,1H3
InChIKeyQDJGGUSASNKCRM-UHFFFAOYSA-N
MW264.75 g/mol
LogP3.61
Rot. Bonds3

About anisole;[4-(chloromethyl)phenyl]methanol

anisole;[4-(chloromethyl)phenyl]methanol (PubChem CID 163893222) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is anisole;[4-(chloromethyl)phenyl]methanol.

Molecular Properties

Compound Nameanisole;[4-(chloromethyl)phenyl]methanol
PubChem CID163893222
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Nameanisole;[4-(chloromethyl)phenyl]methanol
SMILESCOc1ccccc1.OCc1ccc(CCl)cc1
InChIInChI=1S/C8H9ClO.C7H8O/c9-5-7-1-3-8(6-10)4-2-7;1-8-7-5-3-2-4-6-7/h1-4,10H,5-6H2;2-6H,1H3
InChIKeyQDJGGUSASNKCRM-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.61
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

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(4-methoxyphenyl)methanol
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1-(chloromethyl)-4-(2-methoxyethyl)benzene;[4-(2-methoxyethyl)phenyl]methanol
CID 67398400
4-[(E)-2-(4-hydroxyphenyl)-1,2-diphenylethenyl]phenol;methane;[4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]phenyl]methanol
CID 158056261
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
chloromethylbenzene;ruthenium
CID 161305198
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
anisole;guanidine
CID 172735542
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823

Frequently Asked Questions

What is the IUPAC name of anisole;[4-(chloromethyl)phenyl]methanol?
The IUPAC name of anisole;[4-(chloromethyl)phenyl]methanol (CID 163893222) is anisole;[4-(chloromethyl)phenyl]methanol.
What is the SMILES notation for anisole;[4-(chloromethyl)phenyl]methanol?
The canonical SMILES for anisole;[4-(chloromethyl)phenyl]methanol is COc1ccccc1.OCc1ccc(CCl)cc1.
What is the InChIKey of anisole;[4-(chloromethyl)phenyl]methanol?
The InChIKey is QDJGGUSASNKCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C7H8O/c9-5-7-1-3-8(6-10)4-2-7;1-8-7-5-3-2-4-6-7/h1-4,10H,5-6H2;2-6H,1H3.
What are the key properties of anisole;[4-(chloromethyl)phenyl]methanol?
anisole;[4-(chloromethyl)phenyl]methanol has a molecular weight of 264.75 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;[4-(chloromethyl)phenyl]methanol is sourced from PubChem (CID 163893222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).