9-phenoxynon-1-en-4-ol

C15H22O2 — CID 86063840

IUPAC9-phenoxynon-1-en-4-ol
SMILESC=CCC(O)CCCCCOc1ccccc1
InChIInChI=1S/C15H22O2/c1-2-9-14(16)10-5-4-8-13-17-15-11-6-3-7-12-15/h2-3,6-7,11-12,14,16H,1,4-5,8-10,13H2
InChIKeyDYJUIVLCZGHVIM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.56
Rot. Bonds9

About 9-phenoxynon-1-en-4-ol

9-phenoxynon-1-en-4-ol (PubChem CID 86063840) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 9-phenoxynon-1-en-4-ol.

Molecular Properties

Compound Name9-phenoxynon-1-en-4-ol
PubChem CID86063840
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name9-phenoxynon-1-en-4-ol
SMILESC=CCC(O)CCCCCOc1ccccc1
InChIInChI=1S/C15H22O2/c1-2-9-14(16)10-5-4-8-13-17-15-11-6-3-7-12-15/h2-3,6-7,11-12,14,16H,1,4-5,8-10,13H2
InChIKeyDYJUIVLCZGHVIM-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

6-ethenyloct-7-enoxybenzene
CID 66961410
1-(3-methylphenoxy)hex-5-en-3-ol
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1,5-diphenoxypentan-3-ol
CID 5314309
6-phenoxyhexane-1,3-diol
CID 71343394
7,7-dichloroheptoxybenzene
CID 90974620
6-ethenoxyhexoxybenzene
CID 57094182
(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923
methyl 3-hydroxy-7-phenoxyheptanoate
CID 18767528
2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 10220869
(2S)-2-amino-6-phenoxyhexane-1-thiol;hydrochloride
CID 87876325
14-phenoxytetradecane-1,13-diol
CID 123918890
penta-1,4-diene;pentoxybenzene
CID 174999180

Frequently Asked Questions

What is the IUPAC name of 9-phenoxynon-1-en-4-ol?
The IUPAC name of 9-phenoxynon-1-en-4-ol (CID 86063840) is 9-phenoxynon-1-en-4-ol.
What is the SMILES notation for 9-phenoxynon-1-en-4-ol?
The canonical SMILES for 9-phenoxynon-1-en-4-ol is C=CCC(O)CCCCCOc1ccccc1.
What is the InChIKey of 9-phenoxynon-1-en-4-ol?
The InChIKey is DYJUIVLCZGHVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-9-14(16)10-5-4-8-13-17-15-11-6-3-7-12-15/h2-3,6-7,11-12,14,16H,1,4-5,8-10,13H2.
What are the key properties of 9-phenoxynon-1-en-4-ol?
9-phenoxynon-1-en-4-ol has a molecular weight of 234.34 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenoxynon-1-en-4-ol is sourced from PubChem (CID 86063840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).