2-methyl-6-phenylmethoxyhexan-2-ol

C14H22O2 — CID 130681536

IUPAC2-methyl-6-phenylmethoxyhexan-2-ol
SMILESCC(C)(O)CCCCOCc1ccccc1
InChIInChI=1S/C14H22O2/c1-14(2,15)10-6-7-11-16-12-13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-12H2,1-2H3
InChIKeyVGCWOOMUBPGZST-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.14
Rot. Bonds7

About 2-methyl-6-phenylmethoxyhexan-2-ol

2-methyl-6-phenylmethoxyhexan-2-ol (PubChem CID 130681536) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-6-phenylmethoxyhexan-2-ol.

Molecular Properties

Compound Name2-methyl-6-phenylmethoxyhexan-2-ol
PubChem CID130681536
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-6-phenylmethoxyhexan-2-ol
SMILESCC(C)(O)CCCCOCc1ccccc1
InChIInChI=1S/C14H22O2/c1-14(2,15)10-6-7-11-16-12-13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-12H2,1-2H3
InChIKeyVGCWOOMUBPGZST-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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

3-methyl-18-phenylmethoxyoctadec-1-en-3-ol
CID 15606204
2-methyl-6-phenylhexan-2-ol
CID 12716611
4-phenylmethoxybutyl 2,2-dimethylpropanoate
CID 56837525
2-bromo-2-chloro-6-phenylmethoxyhexanoic acid
CID 70458473
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
dioctyl 2-methyl-2-(8-phenylmethoxyoctyl)propanedioate
CID 170432857
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
CID 100990652
[[6-[5-bis(phenylmethoxy)phosphoryl-5-methylhexoxy]-2-methylhexan-2-yl]-phenylmethoxyphosphoryl]oxymethylbenzene
CID 22392105
tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
azane;hexoxymethylbenzene
CID 174805489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylmethoxyhexan-2-ol?
The IUPAC name of 2-methyl-6-phenylmethoxyhexan-2-ol (CID 130681536) is 2-methyl-6-phenylmethoxyhexan-2-ol.
What is the SMILES notation for 2-methyl-6-phenylmethoxyhexan-2-ol?
The canonical SMILES for 2-methyl-6-phenylmethoxyhexan-2-ol is CC(C)(O)CCCCOCc1ccccc1.
What is the InChIKey of 2-methyl-6-phenylmethoxyhexan-2-ol?
The InChIKey is VGCWOOMUBPGZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,15)10-6-7-11-16-12-13-8-4-3-5-9-13/h3-5,8-9,15H,6-7,10-12H2,1-2H3.
What are the key properties of 2-methyl-6-phenylmethoxyhexan-2-ol?
2-methyl-6-phenylmethoxyhexan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylmethoxyhexan-2-ol is sourced from PubChem (CID 130681536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).