6-(4-propan-2-ylphenoxy)hexan-1-ol

C15H24O2 — CID 103801838

IUPAC6-(4-propan-2-ylphenoxy)hexan-1-ol
SMILESCC(C)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C15H24O2/c1-13(2)14-7-9-15(10-8-14)17-12-6-4-3-5-11-16/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyJNEISIOMNPBAJK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.74
Rot. Bonds8

About 6-(4-propan-2-ylphenoxy)hexan-1-ol

6-(4-propan-2-ylphenoxy)hexan-1-ol (PubChem CID 103801838) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(4-propan-2-ylphenoxy)hexan-1-ol
PubChem CID103801838
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name6-(4-propan-2-ylphenoxy)hexan-1-ol
SMILESCC(C)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C15H24O2/c1-13(2)14-7-9-15(10-8-14)17-12-6-4-3-5-11-16/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyJNEISIOMNPBAJK-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.74
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-[4-[bis(4-tert-butylphenyl)-(4-propan-2-ylphenyl)methyl]phenoxy]pentan-1-ol
CID 102215310
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene
CID 176559998
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenoxy)hexan-1-ol?
The IUPAC name of 6-(4-propan-2-ylphenoxy)hexan-1-ol (CID 103801838) is 6-(4-propan-2-ylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(4-propan-2-ylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(4-propan-2-ylphenoxy)hexan-1-ol is CC(C)c1ccc(OCCCCCCO)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenoxy)hexan-1-ol?
The InChIKey is JNEISIOMNPBAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)14-7-9-15(10-8-14)17-12-6-4-3-5-11-16/h7-10,13,16H,3-6,11-12H2,1-2H3.
What are the key properties of 6-(4-propan-2-ylphenoxy)hexan-1-ol?
6-(4-propan-2-ylphenoxy)hexan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenoxy)hexan-1-ol is sourced from PubChem (CID 103801838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).