1-(3-methylphenyl)-2-octoxyethanol

C17H28O2 — CID 55193418

IUPAC1-(3-methylphenyl)-2-octoxyethanol
SMILESCCCCCCCCOCC(O)c1cccc(C)c1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-12-19-14-17(18)16-11-9-10-15(2)13-16/h9-11,13,17-18H,3-8,12,14H2,1-2H3
InChIKeyYAOOLABAMFMSDP-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.41
Rot. Bonds10

About 1-(3-methylphenyl)-2-octoxyethanol

1-(3-methylphenyl)-2-octoxyethanol (PubChem CID 55193418) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-octoxyethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-octoxyethanol
PubChem CID55193418
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(3-methylphenyl)-2-octoxyethanol
SMILESCCCCCCCCOCC(O)c1cccc(C)c1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-12-19-14-17(18)16-11-9-10-15(2)13-16/h9-11,13,17-18H,3-8,12,14H2,1-2H3
InChIKeyYAOOLABAMFMSDP-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.41
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-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696
1-(3-methylphenyl)decan-1-ol
CID 63411280
2-(2-cyclobutylethoxy)-1-(3-methylphenyl)ethanol
CID 106203994
1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
CID 115527685
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
2-hexoxy-2-(3-methylphenyl)ethanamine
CID 55020472
1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 62314096
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624007

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-octoxyethanol?
The IUPAC name of 1-(3-methylphenyl)-2-octoxyethanol (CID 55193418) is 1-(3-methylphenyl)-2-octoxyethanol.
What is the SMILES notation for 1-(3-methylphenyl)-2-octoxyethanol?
The canonical SMILES for 1-(3-methylphenyl)-2-octoxyethanol is CCCCCCCCOCC(O)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-octoxyethanol?
The InChIKey is YAOOLABAMFMSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-5-6-7-8-12-19-14-17(18)16-11-9-10-15(2)13-16/h9-11,13,17-18H,3-8,12,14H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-octoxyethanol?
1-(3-methylphenyl)-2-octoxyethanol has a molecular weight of 264.41 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-octoxyethanol is sourced from PubChem (CID 55193418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).