pentan-1-ol;(E)-stilbene

C19H24O — CID 172553874

IUPACpentan-1-ol;(E)-stilbene
SMILESC(=C/c1ccccc1)\c1ccccc1.CCCCCO
InChIInChI=1S/C14H12.C5H12O/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-3-4-5-6/h1-12H;6H,2-5H2,1H3/b12-11+;
InChIKeyPTRSLASGQOJAQO-CALJPSDSSA-N
MW268.40 g/mol
LogP5.03
Rot. Bonds5

About pentan-1-ol;(E)-stilbene

pentan-1-ol;(E)-stilbene (PubChem CID 172553874) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is pentan-1-ol;(E)-stilbene.

Molecular Properties

Compound Namepentan-1-ol;(E)-stilbene
PubChem CID172553874
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Namepentan-1-ol;(E)-stilbene
SMILESC(=C/c1ccccc1)\c1ccccc1.CCCCCO
InChIInChI=1S/C14H12.C5H12O/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-3-4-5-6/h1-12H;6H,2-5H2,1H3/b12-11+;
InChIKeyPTRSLASGQOJAQO-CALJPSDSSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene
CID 175128455
naphthalene;octan-1-ol
CID 90016891
octan-1-ol;1,2-xylene
CID 68579692
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
[(E)-octadec-1-enyl]benzene
CID 22722345
benzoic acid;tridecan-1-ol
CID 67710151
(E)-9-phenylnon-8-en-1-ol
CID 10489025
1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
CID 44630420
(E)-3-[(E)-2-phenylethenyl]dec-3-en-1-ol
CID 14452107
anthracene;hexan-1-ol
CID 174457209

Frequently Asked Questions

What is the IUPAC name of pentan-1-ol;(E)-stilbene?
The IUPAC name of pentan-1-ol;(E)-stilbene (CID 172553874) is pentan-1-ol;(E)-stilbene.
What is the SMILES notation for pentan-1-ol;(E)-stilbene?
The canonical SMILES for pentan-1-ol;(E)-stilbene is C(=C/c1ccccc1)\c1ccccc1.CCCCCO.
What is the InChIKey of pentan-1-ol;(E)-stilbene?
The InChIKey is PTRSLASGQOJAQO-CALJPSDSSA-N. The full InChI is InChI=1S/C14H12.C5H12O/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-3-4-5-6/h1-12H;6H,2-5H2,1H3/b12-11+;.
What are the key properties of pentan-1-ol;(E)-stilbene?
pentan-1-ol;(E)-stilbene has a molecular weight of 268.40 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-ol;(E)-stilbene is sourced from PubChem (CID 172553874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).