(E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol

C22H28O — CID 16725114

IUPAC(E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol
SMILESCCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1ccccc1
InChIInChI=1S/C22H28O/c1-2-3-4-11-16-22(20-14-9-6-10-15-20)21(18-23)17-19-12-7-5-8-13-19/h5-16,21-23H,2-4,17-18H2,1H3/b16-11+/t21-,22+/m0/s1
InChIKeyFNVXNIIAVMPTHS-XGRNCWTLSA-N
MW308.47 g/mol
LogP5.37
Rot. Bonds9

About (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol

(E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol (PubChem CID 16725114) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol.

Molecular Properties

Compound Name(E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol
PubChem CID16725114
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name(E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol
SMILESCCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1ccccc1
InChIInChI=1S/C22H28O/c1-2-3-4-11-16-22(20-14-9-6-10-15-20)21(18-23)17-19-12-7-5-8-13-19/h5-16,21-23H,2-4,17-18H2,1H3/b16-11+/t21-,22+/m0/s1
InChIKeyFNVXNIIAVMPTHS-XGRNCWTLSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11106477
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CID 101054881
(E)-1-phenyloct-2-en-1-ol
CID 10822082
(E,1R)-1-phenylnon-2-en-1-ol
CID 11287425
1-hydroxy-2-phenylnon-4-en-3-one
CID 174733237
dimethyl 2-[(E)-1-phenylnon-2-enyl]propanedioate
CID 102138325
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
(E,1R,2S)-2-ethoxy-1-phenyloct-3-en-1-ol
CID 10586659
(E)-2-benzyl-6-phenylhex-3-en-1-ol
CID 11529105
octadec-3-en-2-ylbenzene
CID 140717946
dodec-3-en-2-ylbenzene
CID 140717956
9-[(E,1R)-1-phenylhept-2-enyl]-9-borabicyclo[3.3.1]nonane
CID 102153434

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol?
The IUPAC name of (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol (CID 16725114) is (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol.
What is the SMILES notation for (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol?
The canonical SMILES for (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol is CCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1ccccc1.
What is the InChIKey of (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol?
The InChIKey is FNVXNIIAVMPTHS-XGRNCWTLSA-N. The full InChI is InChI=1S/C22H28O/c1-2-3-4-11-16-22(20-14-9-6-10-15-20)21(18-23)17-19-12-7-5-8-13-19/h5-16,21-23H,2-4,17-18H2,1H3/b16-11+/t21-,22+/m0/s1.
What are the key properties of (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol?
(E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol has a molecular weight of 308.47 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-2-benzyl-3-phenylnon-4-en-1-ol is sourced from PubChem (CID 16725114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).