[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol

C22H38O3 — CID 67507886

IUPAC[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
SMILESCCCCCCCCCCCCCCOc1cc(CO)cc(CO)c1
InChIInChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-22-16-20(18-23)15-21(17-22)19-24/h15-17,23-24H,2-14,18-19H2,1H3
InChIKeyCHGANHLBLMVJBC-UHFFFAOYSA-N
MW350.54 g/mol
LogP5.75
Rot. Bonds16

About [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol

[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol (PubChem CID 67507886) has the molecular formula C22H38O3 and a molecular weight of 350.54 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
PubChem CID67507886
Molecular FormulaC22H38O3
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Name[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
SMILESCCCCCCCCCCCCCCOc1cc(CO)cc(CO)c1
InChIInChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-22-16-20(18-23)15-21(17-22)19-24/h15-17,23-24H,2-14,18-19H2,1H3
InChIKeyCHGANHLBLMVJBC-UHFFFAOYSA-N
XLogP5.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(hydroxymethyl)-5-pentoxyphenyl]methanol;propane
CID 169256035
(3,5-dipentoxyphenyl)methanol
CID 121005447
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
2-[3-decoxy-5-(hydroxymethyl)phenyl]acetonitrile
CID 90344302
(3-butoxy-5-butylphenyl)methanol
CID 118269486
1-[3-(hydroxymethyl)-5-octoxyphenoxy]heptan-2-one
CID 59029684
1-(chloromethyl)-3,5-di(nonoxy)benzene
CID 69306580
lithium;alumane;diethyl 5-hexadecoxybenzene-1,3-dicarboxylate;[3-hexadecoxy-5-(hydroxymethyl)phenyl]methanol;hydride;methane
CID 158398283
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
1-butyl-3,5-di(undecoxy)benzene
CID 173166651
1-butyl-3,5-diheptoxybenzene
CID 91325989

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol (CID 67507886) is [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol is CCCCCCCCCCCCCCOc1cc(CO)cc(CO)c1.
What is the InChIKey of [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol?
The InChIKey is CHGANHLBLMVJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-22-16-20(18-23)15-21(17-22)19-24/h15-17,23-24H,2-14,18-19H2,1H3.
What are the key properties of [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol?
[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol has a molecular weight of 350.54 g/mol, XLogP of 5.75, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol is sourced from PubChem (CID 67507886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).