3-chlorophenol;4-tetradecoxyphenol

C26H39ClO3 — CID 70365139

IUPAC3-chlorophenol;4-tetradecoxyphenol
SMILESCCCCCCCCCCCCCCOc1ccc(O)cc1.Oc1cccc(Cl)c1
InChIInChI=1S/C20H34O2.C6H5ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-20-16-14-19(21)15-17-20;7-5-2-1-3-6(8)4-5/h14-17,21H,2-13,18H2,1H3;1-4,8H
InChIKeyCHKKDJXFXDRCRW-UHFFFAOYSA-N
MW435.05 g/mol
LogP8.52
Rot. Bonds14

About 3-chlorophenol;4-tetradecoxyphenol

3-chlorophenol;4-tetradecoxyphenol (PubChem CID 70365139) has the molecular formula C26H39ClO3 and a molecular weight of 435.05 g/mol. Its IUPAC name is 3-chlorophenol;4-tetradecoxyphenol.

Molecular Properties

Compound Name3-chlorophenol;4-tetradecoxyphenol
PubChem CID70365139
Molecular FormulaC26H39ClO3
Molecular Weight435.05 g/mol
Exact Mass434.26
IUPAC Name3-chlorophenol;4-tetradecoxyphenol
SMILESCCCCCCCCCCCCCCOc1ccc(O)cc1.Oc1cccc(Cl)c1
InChIInChI=1S/C20H34O2.C6H5ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-20-16-14-19(21)15-17-20;7-5-2-1-3-6(8)4-5/h14-17,21H,2-13,18H2,1H3;1-4,8H
InChIKeyCHKKDJXFXDRCRW-UHFFFAOYSA-N
XLogP8.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.05
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylphenol;4-tetradecoxyphenol
CID 70365130
4-octadecoxyphenol
CID 22179059
3-tert-butylphenol;4-tetradecoxyphenol
CID 70365154
3-dodecoxyphenol
CID 15719132
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
1,4-dibutoxybenzene;phenol
CID 174756360
4-(4-tetradecoxyanilino)phenol
CID 174780996
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
4-(4-tetradecoxyphenyl)tellanylphenol
CID 10255753
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
N'-(3-chlorophenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806277

Frequently Asked Questions

What is the IUPAC name of 3-chlorophenol;4-tetradecoxyphenol?
The IUPAC name of 3-chlorophenol;4-tetradecoxyphenol (CID 70365139) is 3-chlorophenol;4-tetradecoxyphenol.
What is the SMILES notation for 3-chlorophenol;4-tetradecoxyphenol?
The canonical SMILES for 3-chlorophenol;4-tetradecoxyphenol is CCCCCCCCCCCCCCOc1ccc(O)cc1.Oc1cccc(Cl)c1.
What is the InChIKey of 3-chlorophenol;4-tetradecoxyphenol?
The InChIKey is CHKKDJXFXDRCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2.C6H5ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-20-16-14-19(21)15-17-20;7-5-2-1-3-6(8)4-5/h14-17,21H,2-13,18H2,1H3;1-4,8H.
What are the key properties of 3-chlorophenol;4-tetradecoxyphenol?
3-chlorophenol;4-tetradecoxyphenol has a molecular weight of 435.05 g/mol, XLogP of 8.52, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorophenol;4-tetradecoxyphenol is sourced from PubChem (CID 70365139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).