4-(1-hydroxytridecyl)phenol

C19H32O2 — CID 57120972

IUPAC4-(1-hydroxytridecyl)phenol
SMILESCCCCCCCCCCCCC(O)c1ccc(O)cc1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-19(21)17-13-15-18(20)16-14-17/h13-16,19-21H,2-12H2,1H3
InChIKeyZBMQOEZLZGTFSF-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.74
Rot. Bonds12

About 4-(1-hydroxytridecyl)phenol

4-(1-hydroxytridecyl)phenol (PubChem CID 57120972) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 4-(1-hydroxytridecyl)phenol.

Molecular Properties

Compound Name4-(1-hydroxytridecyl)phenol
PubChem CID57120972
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name4-(1-hydroxytridecyl)phenol
SMILESCCCCCCCCCCCCC(O)c1ccc(O)cc1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-19(21)17-13-15-18(20)16-14-17/h13-16,19-21H,2-12H2,1H3
InChIKeyZBMQOEZLZGTFSF-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hexadecan-7-ylphenol
CID 71320883
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
(1R)-1-phenyloctan-1-ol
CID 12794259
4-undecan-6-ylphenol
CID 66867197
4-dodecan-3-ylphenol
CID 12820022
4-(1-aminododecyl)phenol
CID 174770403
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-pyridin-4-yltridecan-1-ol
CID 63410309

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxytridecyl)phenol?
The IUPAC name of 4-(1-hydroxytridecyl)phenol (CID 57120972) is 4-(1-hydroxytridecyl)phenol.
What is the SMILES notation for 4-(1-hydroxytridecyl)phenol?
The canonical SMILES for 4-(1-hydroxytridecyl)phenol is CCCCCCCCCCCCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-(1-hydroxytridecyl)phenol?
The InChIKey is ZBMQOEZLZGTFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-19(21)17-13-15-18(20)16-14-17/h13-16,19-21H,2-12H2,1H3.
What are the key properties of 4-(1-hydroxytridecyl)phenol?
4-(1-hydroxytridecyl)phenol has a molecular weight of 292.46 g/mol, XLogP of 5.74, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxytridecyl)phenol is sourced from PubChem (CID 57120972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).