2-tridecoxyphenol

C19H32O2 — CID 67178320

IUPAC2-tridecoxyphenol
SMILESCCCCCCCCCCCCCOc1ccccc1O
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-19-16-13-12-15-18(19)20/h12-13,15-16,20H,2-11,14,17H2,1H3
InChIKeyHTHAFCACWWTWGJ-UHFFFAOYSA-N
MW292.46 g/mol
LogP6.08
Rot. Bonds13

About 2-tridecoxyphenol

2-tridecoxyphenol (PubChem CID 67178320) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-tridecoxyphenol.

Molecular Properties

Compound Name2-tridecoxyphenol
PubChem CID67178320
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-tridecoxyphenol
SMILESCCCCCCCCCCCCCOc1ccccc1O
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-19-16-13-12-15-18(19)20/h12-13,15-16,20H,2-11,14,17H2,1H3
InChIKeyHTHAFCACWWTWGJ-UHFFFAOYSA-N
XLogP6.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 56.08
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

benzene-1,2-diol;2-hexoxyphenol
CID 70150520
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
3-tetradecoxybenzene-1,2-diol
CID 152769078
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
2-ethyl-3-hexoxyphenol
CID 118561746
2,3-dipentoxyphenol
CID 57426098
2-octoxyaniline
CID 14747235
1-methyl-2-pentadecoxybenzene
CID 154641785
2-(5-bromopentoxy)phenol
CID 13197601
4-nonoxybenzene-1,3-diol
CID 66563301
5-pentoxynaphthalen-1-ol
CID 67823980

Frequently Asked Questions

What is the IUPAC name of 2-tridecoxyphenol?
The IUPAC name of 2-tridecoxyphenol (CID 67178320) is 2-tridecoxyphenol.
What is the SMILES notation for 2-tridecoxyphenol?
The canonical SMILES for 2-tridecoxyphenol is CCCCCCCCCCCCCOc1ccccc1O.
What is the InChIKey of 2-tridecoxyphenol?
The InChIKey is HTHAFCACWWTWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-21-19-16-13-12-15-18(19)20/h12-13,15-16,20H,2-11,14,17H2,1H3.
What are the key properties of 2-tridecoxyphenol?
2-tridecoxyphenol has a molecular weight of 292.46 g/mol, XLogP of 6.08, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecoxyphenol is sourced from PubChem (CID 67178320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).