2-benzhydrylpent-2-en-1-ol

C18H20O — CID 154240876

IUPAC2-benzhydrylpent-2-en-1-ol
SMILESCCC=C(CO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-2-9-17(14-19)18(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3-13,18-19H,2,14H2,1H3
InChIKeyWHCZBJAGVPLFRJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.15
Rot. Bonds5

About 2-benzhydrylpent-2-en-1-ol

2-benzhydrylpent-2-en-1-ol (PubChem CID 154240876) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-benzhydrylpent-2-en-1-ol.

Molecular Properties

Compound Name2-benzhydrylpent-2-en-1-ol
PubChem CID154240876
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-benzhydrylpent-2-en-1-ol
SMILESCCC=C(CO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-2-9-17(14-19)18(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3-13,18-19H,2,14H2,1H3
InChIKeyWHCZBJAGVPLFRJ-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 67801120
(E,2S,3S)-2,4-dimethyl-3-phenylhept-4-enal
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cumene;hydrogen peroxide
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cumene;2-methylpropane;propane
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2,2-diphenyl-N-[(Z)-propylideneamino]acetamide
CID 6119099
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864
acetic acid;cumene
CID 172767405
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
1-hydroxy-4-methyl-3-phenylpentan-2-one
CID 46916077

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylpent-2-en-1-ol?
The IUPAC name of 2-benzhydrylpent-2-en-1-ol (CID 154240876) is 2-benzhydrylpent-2-en-1-ol.
What is the SMILES notation for 2-benzhydrylpent-2-en-1-ol?
The canonical SMILES for 2-benzhydrylpent-2-en-1-ol is CCC=C(CO)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylpent-2-en-1-ol?
The InChIKey is WHCZBJAGVPLFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-2-9-17(14-19)18(15-10-5-3-6-11-15)16-12-7-4-8-13-16/h3-13,18-19H,2,14H2,1H3.
What are the key properties of 2-benzhydrylpent-2-en-1-ol?
2-benzhydrylpent-2-en-1-ol has a molecular weight of 252.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylpent-2-en-1-ol is sourced from PubChem (CID 154240876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).