(1S)-1-(4-octylphenyl)ethanol

C16H26O — CID 67859464

IUPAC(1S)-1-(4-octylphenyl)ethanol
SMILESCCCCCCCCc1ccc([C@H](C)O)cc1
InChIInChI=1S/C16H26O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-14,17H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyWHQUQRIACOUTIL-AWEZNQCLSA-N
MW234.38 g/mol
LogP4.64
Rot. Bonds8

About (1S)-1-(4-octylphenyl)ethanol

(1S)-1-(4-octylphenyl)ethanol (PubChem CID 67859464) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1S)-1-(4-octylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-octylphenyl)ethanol
PubChem CID67859464
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1S)-1-(4-octylphenyl)ethanol
SMILESCCCCCCCCc1ccc([C@H](C)O)cc1
InChIInChI=1S/C16H26O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-14,17H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyWHQUQRIACOUTIL-AWEZNQCLSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
bis(4-tridecylphenyl)methanol
CID 139673626
1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
CID 139765630
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
2-(4-heptylphenyl)propane-1,3-diol
CID 14527851
(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol
CID 129384682
1-[4-(4-hexylphenyl)phenyl]propan-1-ol
CID 19979106
1-butyl-4-nonylbenzene
CID 59545302
1,2-bis(4-octylphenyl)ethane-1,2-dithiol
CID 101102627
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-(4-hexylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315751

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-octylphenyl)ethanol?
The IUPAC name of (1S)-1-(4-octylphenyl)ethanol (CID 67859464) is (1S)-1-(4-octylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-octylphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-octylphenyl)ethanol is CCCCCCCCc1ccc([C@H](C)O)cc1.
What is the InChIKey of (1S)-1-(4-octylphenyl)ethanol?
The InChIKey is WHQUQRIACOUTIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-14,17H,3-9H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-octylphenyl)ethanol?
(1S)-1-(4-octylphenyl)ethanol has a molecular weight of 234.38 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-octylphenyl)ethanol is sourced from PubChem (CID 67859464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).