(E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol

C22H29NO — CID 10426371

IUPAC(E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol
SMILESCCCCCC/C=C(\c1ccncc1)C(O)CCc1ccccc1
InChIInChI=1S/C22H29NO/c1-2-3-4-5-9-12-21(20-15-17-23-18-16-20)22(24)14-13-19-10-7-6-8-11-19/h6-8,10-12,15-18,22,24H,2-5,9,13-14H2,1H3/b21-12+
InChIKeyBCPHXKPMBGOBFF-CIAFOILYSA-N
MW323.48 g/mol
LogP5.43
Rot. Bonds10

About (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol

(E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol (PubChem CID 10426371) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol.

Molecular Properties

Compound Name(E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol
PubChem CID10426371
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol
SMILESCCCCCC/C=C(\c1ccncc1)C(O)CCc1ccccc1
InChIInChI=1S/C22H29NO/c1-2-3-4-5-9-12-21(20-15-17-23-18-16-20)22(24)14-13-19-10-7-6-8-11-19/h6-8,10-12,15-18,22,24H,2-5,9,13-14H2,1H3/b21-12+
InChIKeyBCPHXKPMBGOBFF-CIAFOILYSA-N
XLogP5.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-phenyldodec-5-en-3-ol
CID 15370002
(Z)-4-chloro-1-phenyltridec-3-en-5-ol
CID 11185938
dodecylbenzene;pyridine
CID 174718010
methyl (Z)-2-(1-hydroxy-3-phenylpropyl)hept-2-enoate
CID 132595570
(E)-4-(benzenesulfinyl)-1-phenylnon-4-en-3-ol
CID 134884601
(4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol
CID 134931871
3-hydroxy-1-phenylnonan-4-one
CID 135039078
4-(3-tetradecylheptadecyl)pyridine
CID 90972273
4-nonadec-10-enylpyridine
CID 71356376
hexylbenzene;hydrogen peroxide
CID 90001206
dodec-4-enylbenzene
CID 54018856
1-phenylheptan-3-ol
CID 10420110

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol?
The IUPAC name of (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol (CID 10426371) is (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol.
What is the SMILES notation for (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol?
The canonical SMILES for (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol is CCCCCC/C=C(\c1ccncc1)C(O)CCc1ccccc1.
What is the InChIKey of (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol?
The InChIKey is BCPHXKPMBGOBFF-CIAFOILYSA-N. The full InChI is InChI=1S/C22H29NO/c1-2-3-4-5-9-12-21(20-15-17-23-18-16-20)22(24)14-13-19-10-7-6-8-11-19/h6-8,10-12,15-18,22,24H,2-5,9,13-14H2,1H3/b21-12+.
What are the key properties of (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol?
(E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol has a molecular weight of 323.48 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol is sourced from PubChem (CID 10426371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).