6-(2,6-dimethylphenoxy)hexan-1-ol

C14H22O2 — CID 103801792

IUPAC6-(2,6-dimethylphenoxy)hexan-1-ol
SMILESCc1cccc(C)c1OCCCCCCO
InChIInChI=1S/C14H22O2/c1-12-8-7-9-13(2)14(12)16-11-6-4-3-5-10-15/h7-9,15H,3-6,10-11H2,1-2H3
InChIKeyCCOXDGXQRABTMW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.23
Rot. Bonds7

About 6-(2,6-dimethylphenoxy)hexan-1-ol

6-(2,6-dimethylphenoxy)hexan-1-ol (PubChem CID 103801792) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-(2,6-dimethylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(2,6-dimethylphenoxy)hexan-1-ol
PubChem CID103801792
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name6-(2,6-dimethylphenoxy)hexan-1-ol
SMILESCc1cccc(C)c1OCCCCCCO
InChIInChI=1S/C14H22O2/c1-12-8-7-9-13(2)14(12)16-11-6-4-3-5-10-15/h7-9,15H,3-6,10-11H2,1-2H3
InChIKeyCCOXDGXQRABTMW-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.23
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

2-decoxy-1,3-dimethylbenzene
CID 83057478
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
6-[10-(6-hydroxyhexoxy)anthracen-9-yl]oxyhexan-1-ol
CID 153326321
2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
CID 111121773
(2-decoxy-3-methylphenyl)methanol
CID 115956202
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
1,3-dimethyl-2-propoxybenzene
CID 579040
1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885
4-(6-hydroxyhexoxy)-3,5-dimethylbenzonitrile
CID 103867927

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenoxy)hexan-1-ol?
The IUPAC name of 6-(2,6-dimethylphenoxy)hexan-1-ol (CID 103801792) is 6-(2,6-dimethylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(2,6-dimethylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(2,6-dimethylphenoxy)hexan-1-ol is Cc1cccc(C)c1OCCCCCCO.
What is the InChIKey of 6-(2,6-dimethylphenoxy)hexan-1-ol?
The InChIKey is CCOXDGXQRABTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-12-8-7-9-13(2)14(12)16-11-6-4-3-5-10-15/h7-9,15H,3-6,10-11H2,1-2H3.
What are the key properties of 6-(2,6-dimethylphenoxy)hexan-1-ol?
6-(2,6-dimethylphenoxy)hexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenoxy)hexan-1-ol is sourced from PubChem (CID 103801792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).