[4-(2-ethylheptoxy)phenyl]methanol

C16H26O2 — CID 142083933

IUPAC[4-(2-ethylheptoxy)phenyl]methanol
SMILESCCCCCC(CC)COc1ccc(CO)cc1
InChIInChI=1S/C16H26O2/c1-3-5-6-7-14(4-2)13-18-16-10-8-15(12-17)9-11-16/h8-11,14,17H,3-7,12-13H2,1-2H3
InChIKeySGKUVSOQAMIZCO-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.16
Rot. Bonds9

About [4-(2-ethylheptoxy)phenyl]methanol

[4-(2-ethylheptoxy)phenyl]methanol (PubChem CID 142083933) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is [4-(2-ethylheptoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-ethylheptoxy)phenyl]methanol
PubChem CID142083933
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name[4-(2-ethylheptoxy)phenyl]methanol
SMILESCCCCCC(CC)COc1ccc(CO)cc1
InChIInChI=1S/C16H26O2/c1-3-5-6-7-14(4-2)13-18-16-10-8-15(12-17)9-11-16/h8-11,14,17H,3-7,12-13H2,1-2H3
InChIKeySGKUVSOQAMIZCO-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.16
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

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
CID 175332290
1-[(2R)-2-butyloctoxy]-4-[4-[4-[4-[(2S)-2-butyloctoxy]phenyl]phenyl]phenyl]benzene
CID 97290699
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylheptoxy)phenyl]methanol?
The IUPAC name of [4-(2-ethylheptoxy)phenyl]methanol (CID 142083933) is [4-(2-ethylheptoxy)phenyl]methanol.
What is the SMILES notation for [4-(2-ethylheptoxy)phenyl]methanol?
The canonical SMILES for [4-(2-ethylheptoxy)phenyl]methanol is CCCCCC(CC)COc1ccc(CO)cc1.
What is the InChIKey of [4-(2-ethylheptoxy)phenyl]methanol?
The InChIKey is SGKUVSOQAMIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-6-7-14(4-2)13-18-16-10-8-15(12-17)9-11-16/h8-11,14,17H,3-7,12-13H2,1-2H3.
What are the key properties of [4-(2-ethylheptoxy)phenyl]methanol?
[4-(2-ethylheptoxy)phenyl]methanol has a molecular weight of 250.38 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylheptoxy)phenyl]methanol is sourced from PubChem (CID 142083933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).