5-methyl-1-phenylmethoxyhexan-3-ol

C14H22O2 — CID 121302735

IUPAC5-methyl-1-phenylmethoxyhexan-3-ol
SMILESCC(C)CC(O)CCOCc1ccccc1
InChIInChI=1S/C14H22O2/c1-12(2)10-14(15)8-9-16-11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyMEOMOIOILADCSZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.00
Rot. Bonds7

About 5-methyl-1-phenylmethoxyhexan-3-ol

5-methyl-1-phenylmethoxyhexan-3-ol (PubChem CID 121302735) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-methyl-1-phenylmethoxyhexan-3-ol.

Molecular Properties

Compound Name5-methyl-1-phenylmethoxyhexan-3-ol
PubChem CID121302735
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-methyl-1-phenylmethoxyhexan-3-ol
SMILESCC(C)CC(O)CCOCc1ccccc1
InChIInChI=1S/C14H22O2/c1-12(2)10-14(15)8-9-16-11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyMEOMOIOILADCSZ-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol
CID 11456085
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
(3R)-1-phenylmethoxyhept-5-yn-3-ol
CID 142182731
6-methyl-1-phenylmethoxyhept-6-en-3-ol
CID 131052631
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenylmethoxyhexan-3-ol?
The IUPAC name of 5-methyl-1-phenylmethoxyhexan-3-ol (CID 121302735) is 5-methyl-1-phenylmethoxyhexan-3-ol.
What is the SMILES notation for 5-methyl-1-phenylmethoxyhexan-3-ol?
The canonical SMILES for 5-methyl-1-phenylmethoxyhexan-3-ol is CC(C)CC(O)CCOCc1ccccc1.
What is the InChIKey of 5-methyl-1-phenylmethoxyhexan-3-ol?
The InChIKey is MEOMOIOILADCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(2)10-14(15)8-9-16-11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3.
What are the key properties of 5-methyl-1-phenylmethoxyhexan-3-ol?
5-methyl-1-phenylmethoxyhexan-3-ol has a molecular weight of 222.33 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenylmethoxyhexan-3-ol is sourced from PubChem (CID 121302735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).