3-methylphenol;4-tetradecoxyphenol

C27H42O3 — CID 70365130

IUPAC3-methylphenol;4-tetradecoxyphenol
SMILESCCCCCCCCCCCCCCOc1ccc(O)cc1.Cc1cccc(O)c1
InChIInChI=1S/C20H34O2.C7H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-20-16-14-19(21)15-17-20;1-6-3-2-4-7(8)5-6/h14-17,21H,2-13,18H2,1H3;2-5,8H,1H3
InChIKeyGIBYCWWPJUJOOZ-UHFFFAOYSA-N
MW414.63 g/mol
LogP8.17
Rot. Bonds14

About 3-methylphenol;4-tetradecoxyphenol

3-methylphenol;4-tetradecoxyphenol (PubChem CID 70365130) has the molecular formula C27H42O3 and a molecular weight of 414.63 g/mol. Its IUPAC name is 3-methylphenol;4-tetradecoxyphenol.

Molecular Properties

Compound Name3-methylphenol;4-tetradecoxyphenol
PubChem CID70365130
Molecular FormulaC27H42O3
Molecular Weight414.63 g/mol
Exact Mass414.31
IUPAC Name3-methylphenol;4-tetradecoxyphenol
SMILESCCCCCCCCCCCCCCOc1ccc(O)cc1.Cc1cccc(O)c1
InChIInChI=1S/C20H34O2.C7H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-20-16-14-19(21)15-17-20;1-6-3-2-4-7(8)5-6/h14-17,21H,2-13,18H2,1H3;2-5,8H,1H3
InChIKeyGIBYCWWPJUJOOZ-UHFFFAOYSA-N
XLogP8.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methylphenol;4-tetradecoxyphenol 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

3-chlorophenol;4-tetradecoxyphenol
CID 70365139
4-octadecoxyphenol
CID 22179059
3-tert-butylphenol;4-tetradecoxyphenol
CID 70365154
3-dodecoxyphenol
CID 15719132
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
1,4-dibutoxybenzene;phenol
CID 174756360
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
N,N-dioctyloctan-1-amine;3-methylphenol
CID 174801839
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451

Frequently Asked Questions

What is the IUPAC name of 3-methylphenol;4-tetradecoxyphenol?
The IUPAC name of 3-methylphenol;4-tetradecoxyphenol (CID 70365130) is 3-methylphenol;4-tetradecoxyphenol.
What is the SMILES notation for 3-methylphenol;4-tetradecoxyphenol?
The canonical SMILES for 3-methylphenol;4-tetradecoxyphenol is CCCCCCCCCCCCCCOc1ccc(O)cc1.Cc1cccc(O)c1.
What is the InChIKey of 3-methylphenol;4-tetradecoxyphenol?
The InChIKey is GIBYCWWPJUJOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2.C7H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22-20-16-14-19(21)15-17-20;1-6-3-2-4-7(8)5-6/h14-17,21H,2-13,18H2,1H3;2-5,8H,1H3.
What are the key properties of 3-methylphenol;4-tetradecoxyphenol?
3-methylphenol;4-tetradecoxyphenol has a molecular weight of 414.63 g/mol, XLogP of 8.17, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylphenol;4-tetradecoxyphenol is sourced from PubChem (CID 70365130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).