(1S)-1-(2-octoxyphenyl)ethanol

C16H26O2 — CID 55223229

IUPAC(1S)-1-(2-octoxyphenyl)ethanol
SMILESCCCCCCCCOc1ccccc1[C@H](C)O
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-10-13-18-16-12-9-8-11-15(16)14(2)17/h8-9,11-12,14,17H,3-7,10,13H2,1-2H3/t14-/m0/s1
InChIKeyPLKZASDNIIERMF-AWEZNQCLSA-N
MW250.38 g/mol
LogP4.48
Rot. Bonds9

About (1S)-1-(2-octoxyphenyl)ethanol

(1S)-1-(2-octoxyphenyl)ethanol (PubChem CID 55223229) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1S)-1-(2-octoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-octoxyphenyl)ethanol
PubChem CID55223229
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1S)-1-(2-octoxyphenyl)ethanol
SMILESCCCCCCCCOc1ccccc1[C@H](C)O
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-10-13-18-16-12-9-8-11-15(16)14(2)17/h8-9,11-12,14,17H,3-7,10,13H2,1-2H3/t14-/m0/s1
InChIKeyPLKZASDNIIERMF-AWEZNQCLSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.48
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

(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
1-(2-propoxyphenyl)ethanol
CID 43503976
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
1-octoxy-2-propan-2-ylbenzene
CID 64765685
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-octoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(2-octoxyphenyl)ethanol (CID 55223229) is (1S)-1-(2-octoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-octoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(2-octoxyphenyl)ethanol is CCCCCCCCOc1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-(2-octoxyphenyl)ethanol?
The InChIKey is PLKZASDNIIERMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-10-13-18-16-12-9-8-11-15(16)14(2)17/h8-9,11-12,14,17H,3-7,10,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(2-octoxyphenyl)ethanol?
(1S)-1-(2-octoxyphenyl)ethanol has a molecular weight of 250.38 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-octoxyphenyl)ethanol is sourced from PubChem (CID 55223229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).