(E,1R)-1-phenylnon-2-en-1-ol

C15H22O — CID 11287425

IUPAC(E,1R)-1-phenylnon-2-en-1-ol
SMILESCCCCCC/C=C/[C@@H](O)c1ccccc1
InChIInChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-13,15-16H,2-6H2,1H3/b13-10+/t15-/m1/s1
InChIKeyVGCBISLUUUARNS-NRMKIYEFSA-N
MW218.34 g/mol
LogP4.25
Rot. Bonds7

About (E,1R)-1-phenylnon-2-en-1-ol

(E,1R)-1-phenylnon-2-en-1-ol (PubChem CID 11287425) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (E,1R)-1-phenylnon-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-phenylnon-2-en-1-ol
PubChem CID11287425
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(E,1R)-1-phenylnon-2-en-1-ol
SMILESCCCCCC/C=C/[C@@H](O)c1ccccc1
InChIInChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-13,15-16H,2-6H2,1H3/b13-10+/t15-/m1/s1
InChIKeyVGCBISLUUUARNS-NRMKIYEFSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.25
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 10822082
(E)-1-(4-chlorophenyl)non-2-en-1-ol
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CID 140717946
dodec-3-en-2-ylbenzene
CID 140717956
(E,1S,2R)-1-phenyloct-3-ene-1,2-diol
CID 101054881
(E,4R)-4-phenyldodec-5-en-2-one
CID 11357371
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
(Z)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 102600669
(E)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 11821614
(Z,2R)-2-phenyloct-3-en-1-ol
CID 11106477
4-[(E)-1-hydroxyhept-2-enyl]benzonitrile
CID 10921890

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-phenylnon-2-en-1-ol?
The IUPAC name of (E,1R)-1-phenylnon-2-en-1-ol (CID 11287425) is (E,1R)-1-phenylnon-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-phenylnon-2-en-1-ol?
The canonical SMILES for (E,1R)-1-phenylnon-2-en-1-ol is CCCCCC/C=C/[C@@H](O)c1ccccc1.
What is the InChIKey of (E,1R)-1-phenylnon-2-en-1-ol?
The InChIKey is VGCBISLUUUARNS-NRMKIYEFSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-13,15-16H,2-6H2,1H3/b13-10+/t15-/m1/s1.
What are the key properties of (E,1R)-1-phenylnon-2-en-1-ol?
(E,1R)-1-phenylnon-2-en-1-ol has a molecular weight of 218.34 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-phenylnon-2-en-1-ol is sourced from PubChem (CID 11287425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).