2-(3-octoxyphenyl)ethanol

C16H26O2 — CID 141227544

IUPAC2-(3-octoxyphenyl)ethanol
SMILESCCCCCCCCOc1cccc(CCO)c1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-13-18-16-10-8-9-15(14-16)11-12-17/h8-10,14,17H,2-7,11-13H2,1H3
InChIKeyAEYUQYLOJOHNTA-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.96
Rot. Bonds10

About 2-(3-octoxyphenyl)ethanol

2-(3-octoxyphenyl)ethanol (PubChem CID 141227544) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(3-octoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-octoxyphenyl)ethanol
PubChem CID141227544
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(3-octoxyphenyl)ethanol
SMILESCCCCCCCCOc1cccc(CCO)c1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-13-18-16-10-8-9-15(14-16)11-12-17/h8-10,14,17H,2-7,11-13H2,1H3
InChIKeyAEYUQYLOJOHNTA-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.96
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

5-(3-propylphenoxy)pentan-1-ol
CID 174619714
1,3-dihexadecoxybenzene
CID 12686834
2-(3-octoxyphenyl)acetic acid
CID 11975056
4-(3-pentadecylphenoxy)butanamide
CID 22354511
2-(3-pentylphenyl)ethanol
CID 163236984
3-dodecoxyphenol
CID 15719132
1-(4-methyloct-3-enyl)-3-pentoxybenzene
CID 123683670
5-(3-heptoxyphenyl)-3-hydroxypentanoic acid
CID 101069764
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403

Frequently Asked Questions

What is the IUPAC name of 2-(3-octoxyphenyl)ethanol?
The IUPAC name of 2-(3-octoxyphenyl)ethanol (CID 141227544) is 2-(3-octoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-octoxyphenyl)ethanol?
The canonical SMILES for 2-(3-octoxyphenyl)ethanol is CCCCCCCCOc1cccc(CCO)c1.
What is the InChIKey of 2-(3-octoxyphenyl)ethanol?
The InChIKey is AEYUQYLOJOHNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-4-5-6-7-13-18-16-10-8-9-15(14-16)11-12-17/h8-10,14,17H,2-7,11-13H2,1H3.
What are the key properties of 2-(3-octoxyphenyl)ethanol?
2-(3-octoxyphenyl)ethanol has a molecular weight of 250.38 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-octoxyphenyl)ethanol is sourced from PubChem (CID 141227544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).