6-(3-propan-2-ylphenoxy)hexan-1-ol

C15H24O2 — CID 103867881

IUPAC6-(3-propan-2-ylphenoxy)hexan-1-ol
SMILESCC(C)c1cccc(OCCCCCCO)c1
InChIInChI=1S/C15H24O2/c1-13(2)14-8-7-9-15(12-14)17-11-6-4-3-5-10-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3
InChIKeyCSCWCWHOTVTDEH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.74
Rot. Bonds8

About 6-(3-propan-2-ylphenoxy)hexan-1-ol

6-(3-propan-2-ylphenoxy)hexan-1-ol (PubChem CID 103867881) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 6-(3-propan-2-ylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(3-propan-2-ylphenoxy)hexan-1-ol
PubChem CID103867881
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name6-(3-propan-2-ylphenoxy)hexan-1-ol
SMILESCC(C)c1cccc(OCCCCCCO)c1
InChIInChI=1S/C15H24O2/c1-13(2)14-8-7-9-15(12-14)17-11-6-4-3-5-10-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3
InChIKeyCSCWCWHOTVTDEH-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

1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
4-(3-propan-2-ylphenoxy)butanoyl chloride
CID 82041570
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
tert-butyl 8-(3-propan-2-ylphenoxy)octanoate
CID 134574821
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942

Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylphenoxy)hexan-1-ol?
The IUPAC name of 6-(3-propan-2-ylphenoxy)hexan-1-ol (CID 103867881) is 6-(3-propan-2-ylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(3-propan-2-ylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(3-propan-2-ylphenoxy)hexan-1-ol is CC(C)c1cccc(OCCCCCCO)c1.
What is the InChIKey of 6-(3-propan-2-ylphenoxy)hexan-1-ol?
The InChIKey is CSCWCWHOTVTDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)14-8-7-9-15(12-14)17-11-6-4-3-5-10-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3.
What are the key properties of 6-(3-propan-2-ylphenoxy)hexan-1-ol?
6-(3-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-(3-propan-2-ylphenoxy)hexan-1-ol is sourced from PubChem (CID 103867881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).