5-(chloromethyl)-1-phenylhex-5-en-3-ol

C13H17ClO — CID 15313184

IUPAC5-(chloromethyl)-1-phenylhex-5-en-3-ol
SMILESC=C(CCl)CC(O)CCc1ccccc1
InChIInChI=1S/C13H17ClO/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,13,15H,1,7-10H2
InChIKeyVSLZMEFXCXFJJA-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.17
Rot. Bonds6

About 5-(chloromethyl)-1-phenylhex-5-en-3-ol

5-(chloromethyl)-1-phenylhex-5-en-3-ol (PubChem CID 15313184) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 5-(chloromethyl)-1-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name5-(chloromethyl)-1-phenylhex-5-en-3-ol
PubChem CID15313184
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name5-(chloromethyl)-1-phenylhex-5-en-3-ol
SMILESC=C(CCl)CC(O)CCc1ccccc1
InChIInChI=1S/C13H17ClO/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,13,15H,1,7-10H2
InChIKeyVSLZMEFXCXFJJA-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-(trifluoromethyl)hex-5-en-3-ol
CID 101388257
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol
CID 11197489
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
5-hydroxy-7-phenylhept-1-en-3-one
CID 71376612
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
6-hydroxy-8-phenyloct-2-en-4-one
CID 71376619
1-chloro-7-phenylheptan-4-ol
CID 54140253
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-phenylhex-5-en-3-ol?
The IUPAC name of 5-(chloromethyl)-1-phenylhex-5-en-3-ol (CID 15313184) is 5-(chloromethyl)-1-phenylhex-5-en-3-ol.
What is the SMILES notation for 5-(chloromethyl)-1-phenylhex-5-en-3-ol?
The canonical SMILES for 5-(chloromethyl)-1-phenylhex-5-en-3-ol is C=C(CCl)CC(O)CCc1ccccc1.
What is the InChIKey of 5-(chloromethyl)-1-phenylhex-5-en-3-ol?
The InChIKey is VSLZMEFXCXFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,13,15H,1,7-10H2.
What are the key properties of 5-(chloromethyl)-1-phenylhex-5-en-3-ol?
5-(chloromethyl)-1-phenylhex-5-en-3-ol has a molecular weight of 224.73 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-phenylhex-5-en-3-ol is sourced from PubChem (CID 15313184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).