2-tridecylbenzene-1,4-diol

C19H32O2 — CID 19033717

IUPAC2-tridecylbenzene-1,4-diol
SMILESCCCCCCCCCCCCCc1cc(O)ccc1O
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-16-18(20)14-15-19(17)21/h14-16,20-21H,2-13H2,1H3
InChIKeyPDWQIGZAWHECCC-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.95
Rot. Bonds12

About 2-tridecylbenzene-1,4-diol

2-tridecylbenzene-1,4-diol (PubChem CID 19033717) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-tridecylbenzene-1,4-diol.

Molecular Properties

Compound Name2-tridecylbenzene-1,4-diol
PubChem CID19033717
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-tridecylbenzene-1,4-diol
SMILESCCCCCCCCCCCCCc1cc(O)ccc1O
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-16-18(20)14-15-19(17)21/h14-16,20-21H,2-13H2,1H3
InChIKeyPDWQIGZAWHECCC-UHFFFAOYSA-N
XLogP5.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806
4-tricosylbenzene-1,3-diol
CID 101133990
4-nonyl-2-pentylphenol
CID 86162849
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
4-bromo-2-dodecylphenol
CID 25207881
4-bromo-2-hexylphenol
CID 22134514
4-bromo-3-hexylphenol
CID 15007737
4,5-didecylbenzene-1,2-diol
CID 15667809
4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol
CID 68959503
3-methyl-4-octylphenol
CID 67863636

Frequently Asked Questions

What is the IUPAC name of 2-tridecylbenzene-1,4-diol?
The IUPAC name of 2-tridecylbenzene-1,4-diol (CID 19033717) is 2-tridecylbenzene-1,4-diol.
What is the SMILES notation for 2-tridecylbenzene-1,4-diol?
The canonical SMILES for 2-tridecylbenzene-1,4-diol is CCCCCCCCCCCCCc1cc(O)ccc1O.
What is the InChIKey of 2-tridecylbenzene-1,4-diol?
The InChIKey is PDWQIGZAWHECCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-16-18(20)14-15-19(17)21/h14-16,20-21H,2-13H2,1H3.
What are the key properties of 2-tridecylbenzene-1,4-diol?
2-tridecylbenzene-1,4-diol has a molecular weight of 292.46 g/mol, XLogP of 5.95, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecylbenzene-1,4-diol is sourced from PubChem (CID 19033717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).