(1R)-1-(4-octoxyphenyl)ethanol

C16H26O2 — CID 55223040

IUPAC(1R)-1-(4-octoxyphenyl)ethanol
SMILESCCCCCCCCOc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-13-18-16-11-9-15(10-12-16)14(2)17/h9-12,14,17H,3-8,13H2,1-2H3/t14-/m1/s1
InChIKeyNTZBODKBRJLUHT-CQSZACIVSA-N
MW250.38 g/mol
LogP4.48
Rot. Bonds9

About (1R)-1-(4-octoxyphenyl)ethanol

(1R)-1-(4-octoxyphenyl)ethanol (PubChem CID 55223040) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1R)-1-(4-octoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-octoxyphenyl)ethanol
PubChem CID55223040
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1R)-1-(4-octoxyphenyl)ethanol
SMILESCCCCCCCCOc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-13-18-16-11-9-15(10-12-16)14(2)17/h9-12,14,17H,3-8,13H2,1-2H3/t14-/m1/s1
InChIKeyNTZBODKBRJLUHT-CQSZACIVSA-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'}

Analyze (1R)-1-(4-octoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
bis(4-octoxyphenyl)methanol
CID 139262063
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988
(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040
1,4-dipentoxybenzene
CID 18314717
1,2-bis(4-octoxyphenyl)ethane-1,2-dithiol
CID 101102640
1,2-bis(4-octadecoxyphenyl)ethane-1,2-dithiol
CID 101102634

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-octoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(4-octoxyphenyl)ethanol (CID 55223040) is (1R)-1-(4-octoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-octoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(4-octoxyphenyl)ethanol is CCCCCCCCOc1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-(4-octoxyphenyl)ethanol?
The InChIKey is NTZBODKBRJLUHT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-13-18-16-11-9-15(10-12-16)14(2)17/h9-12,14,17H,3-8,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-octoxyphenyl)ethanol?
(1R)-1-(4-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 (1R)-1-(4-octoxyphenyl)ethanol is sourced from PubChem (CID 55223040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).