octadecoxy(phenyl)methanol

C25H44O2 — CID 141167921

IUPACoctadecoxy(phenyl)methanol
SMILESCCCCCCCCCCCCCCCCCCOC(O)c1ccccc1
InChIInChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22,25-26H,2-16,20,23H2,1H3
InChIKeyVOPBAGOHHLZSOX-UHFFFAOYSA-N
MW376.62 g/mol
LogP7.96
Rot. Bonds19

About octadecoxy(phenyl)methanol

octadecoxy(phenyl)methanol (PubChem CID 141167921) has the molecular formula C25H44O2 and a molecular weight of 376.62 g/mol. Its IUPAC name is octadecoxy(phenyl)methanol.

Molecular Properties

Compound Nameoctadecoxy(phenyl)methanol
PubChem CID141167921
Molecular FormulaC25H44O2
Molecular Weight376.62 g/mol
Exact Mass376.33
IUPAC Nameoctadecoxy(phenyl)methanol
SMILESCCCCCCCCCCCCCCCCCCOC(O)c1ccccc1
InChIInChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22,25-26H,2-16,20,23H2,1H3
InChIKeyVOPBAGOHHLZSOX-UHFFFAOYSA-N
XLogP7.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.62
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

nonoxy(phenyl)methanol
CID 70405769
didecoxymethylbenzene
CID 150039155
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
1-dodecoxyhexylbenzene
CID 174774790
hydroxy-di(nonoxy)-phenylphosphanium
CID 172838526
didecoxy-hydroxy-phenylphosphanium
CID 70413003
1-pentoxypropylbenzene
CID 57033372
(2-methyl-1-pentadecoxyprop-2-enyl)benzene
CID 139672728
1-pentoxyethylbenzene;hydrate
CID 174634303
1-pentoxybutylbenzene
CID 173061669
[chloro(pentoxy)methyl]benzene
CID 141305175
5-[hydroxy(octoxy)methyl]benzene-1,2,3-triol
CID 146666211

Frequently Asked Questions

What is the IUPAC name of octadecoxy(phenyl)methanol?
The IUPAC name of octadecoxy(phenyl)methanol (CID 141167921) is octadecoxy(phenyl)methanol.
What is the SMILES notation for octadecoxy(phenyl)methanol?
The canonical SMILES for octadecoxy(phenyl)methanol is CCCCCCCCCCCCCCCCCCOC(O)c1ccccc1.
What is the InChIKey of octadecoxy(phenyl)methanol?
The InChIKey is VOPBAGOHHLZSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22,25-26H,2-16,20,23H2,1H3.
What are the key properties of octadecoxy(phenyl)methanol?
octadecoxy(phenyl)methanol has a molecular weight of 376.62 g/mol, XLogP of 7.96, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecoxy(phenyl)methanol is sourced from PubChem (CID 141167921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).