formaldehyde;2-tridecan-5-ylphenol

C20H34O2 — CID 130205554

IUPACformaldehyde;2-tridecan-5-ylphenol
SMILESC=O.CCCCCCCCC(CCCC)c1ccccc1O
InChIInChI=1S/C19H32O.CH2O/c1-3-5-7-8-9-10-14-17(13-6-4-2)18-15-11-12-16-19(18)20;1-2/h11-12,15-17,20H,3-10,13-14H2,1-2H3;1H2
InChIKeyHCNUIHBYRUNRQY-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.23
Rot. Bonds11

About formaldehyde;2-tridecan-5-ylphenol

formaldehyde;2-tridecan-5-ylphenol (PubChem CID 130205554) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is formaldehyde;2-tridecan-5-ylphenol.

Molecular Properties

Compound Nameformaldehyde;2-tridecan-5-ylphenol
PubChem CID130205554
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Nameformaldehyde;2-tridecan-5-ylphenol
SMILESC=O.CCCCCCCCC(CCCC)c1ccccc1O
InChIInChI=1S/C19H32O.CH2O/c1-3-5-7-8-9-10-14-17(13-6-4-2)18-15-11-12-16-19(18)20;1-2/h11-12,15-17,20H,3-10,13-14H2,1-2H3;1H2
InChIKeyHCNUIHBYRUNRQY-UHFFFAOYSA-N
XLogP6.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formaldehyde;2-tridecan-5-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentadecan-6-ylphenol
CID 66865451
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018
7-(2-hydroxyphenyl)octadecanoic acid
CID 101311355
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
2-ethylhexyl 11-(2-hydroxyphenyl)octadecanoate
CID 101311417
2-ethylhexyl 12-(2-hydroxyphenyl)octadecanoate
CID 101311418
4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
2-pentadec-1-en-3-ylphenol
CID 67611246
2-undecan-5-ylbenzene-1,3-diol
CID 67418377
2-[2-(2-tridecan-7-ylphenyl)propan-2-yl]phenol
CID 66866746
2-(1-phenylnonyl)phenol
CID 67177643

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-tridecan-5-ylphenol?
The IUPAC name of formaldehyde;2-tridecan-5-ylphenol (CID 130205554) is formaldehyde;2-tridecan-5-ylphenol.
What is the SMILES notation for formaldehyde;2-tridecan-5-ylphenol?
The canonical SMILES for formaldehyde;2-tridecan-5-ylphenol is C=O.CCCCCCCCC(CCCC)c1ccccc1O.
What is the InChIKey of formaldehyde;2-tridecan-5-ylphenol?
The InChIKey is HCNUIHBYRUNRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O.CH2O/c1-3-5-7-8-9-10-14-17(13-6-4-2)18-15-11-12-16-19(18)20;1-2/h11-12,15-17,20H,3-10,13-14H2,1-2H3;1H2.
What are the key properties of formaldehyde;2-tridecan-5-ylphenol?
formaldehyde;2-tridecan-5-ylphenol has a molecular weight of 306.49 g/mol, XLogP of 6.23, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-tridecan-5-ylphenol is sourced from PubChem (CID 130205554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).