2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol

C20H26O2 — CID 21288530

IUPAC2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
SMILESCCCCC(C)C(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H26O2/c1-3-4-9-16(2)20(21)18-12-8-13-19(14-18)22-15-17-10-6-5-7-11-17/h5-8,10-14,16,20-21H,3-4,9,15H2,1-2H3
InChIKeyICYFKBPUPGCURX-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.13
Rot. Bonds8

About 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol

2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol (PubChem CID 21288530) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
PubChem CID21288530
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
SMILESCCCCC(C)C(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H26O2/c1-3-4-9-16(2)20(21)18-12-8-13-19(14-18)22-15-17-10-6-5-7-11-17/h5-8,10-14,16,20-21H,3-4,9,15H2,1-2H3
InChIKeyICYFKBPUPGCURX-UHFFFAOYSA-N
XLogP5.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
2-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349128
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
(1S,2R)-3-amino-2-methyl-1-[3-(2-propylpentoxy)phenyl]propan-1-ol
CID 118334144
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7311571
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol?
The IUPAC name of 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol (CID 21288530) is 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol?
The canonical SMILES for 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol is CCCCC(C)C(O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol?
The InChIKey is ICYFKBPUPGCURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-4-9-16(2)20(21)18-12-8-13-19(14-18)22-15-17-10-6-5-7-11-17/h5-8,10-14,16,20-21H,3-4,9,15H2,1-2H3.
What are the key properties of 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol?
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol is sourced from PubChem (CID 21288530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).