9-(4-ethoxyphenoxy)nonan-1-ol

C17H28O3 — CID 138493488

IUPAC9-(4-ethoxyphenoxy)nonan-1-ol
SMILESCCOc1ccc(OCCCCCCCCCO)cc1
InChIInChI=1S/C17H28O3/c1-2-19-16-10-12-17(13-11-16)20-15-9-7-5-3-4-6-8-14-18/h10-13,18H,2-9,14-15H2,1H3
InChIKeyYZDREBASJAEBQO-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.19
Rot. Bonds12

About 9-(4-ethoxyphenoxy)nonan-1-ol

9-(4-ethoxyphenoxy)nonan-1-ol (PubChem CID 138493488) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 9-(4-ethoxyphenoxy)nonan-1-ol.

Molecular Properties

Compound Name9-(4-ethoxyphenoxy)nonan-1-ol
PubChem CID138493488
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name9-(4-ethoxyphenoxy)nonan-1-ol
SMILESCCOc1ccc(OCCCCCCCCCO)cc1
InChIInChI=1S/C17H28O3/c1-2-19-16-10-12-17(13-11-16)20-15-9-7-5-3-4-6-8-14-18/h10-13,18H,2-9,14-15H2,1H3
InChIKeyYZDREBASJAEBQO-UHFFFAOYSA-N
XLogP4.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
1-(6-chlorohexoxy)-4-ethoxybenzene
CID 63498933
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
6-(4-iodophenoxy)hexan-1-ol
CID 58609394
11-[4-[1,1-bis[4-(11-hydroxyundecoxy)phenyl]ethyl]phenoxy]undecan-1-ol
CID 102322875
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
6-(4-methylsulfanylphenoxy)hexan-1-ol
CID 103867882
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethoxyphenoxy)nonan-1-ol?
The IUPAC name of 9-(4-ethoxyphenoxy)nonan-1-ol (CID 138493488) is 9-(4-ethoxyphenoxy)nonan-1-ol.
What is the SMILES notation for 9-(4-ethoxyphenoxy)nonan-1-ol?
The canonical SMILES for 9-(4-ethoxyphenoxy)nonan-1-ol is CCOc1ccc(OCCCCCCCCCO)cc1.
What is the InChIKey of 9-(4-ethoxyphenoxy)nonan-1-ol?
The InChIKey is YZDREBASJAEBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-2-19-16-10-12-17(13-11-16)20-15-9-7-5-3-4-6-8-14-18/h10-13,18H,2-9,14-15H2,1H3.
What are the key properties of 9-(4-ethoxyphenoxy)nonan-1-ol?
9-(4-ethoxyphenoxy)nonan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 4.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethoxyphenoxy)nonan-1-ol is sourced from PubChem (CID 138493488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).