4-methyl-2-tetradecoxyphenol

C21H36O2 — CID 19014152

IUPAC4-methyl-2-tetradecoxyphenol
SMILESCCCCCCCCCCCCCCOc1cc(C)ccc1O
InChIInChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-21-18-19(2)15-16-20(21)22/h15-16,18,22H,3-14,17H2,1-2H3
InChIKeyMWPRHJJLSMSIIW-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.78
Rot. Bonds14

About 4-methyl-2-tetradecoxyphenol

4-methyl-2-tetradecoxyphenol (PubChem CID 19014152) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 4-methyl-2-tetradecoxyphenol.

Molecular Properties

Compound Name4-methyl-2-tetradecoxyphenol
PubChem CID19014152
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name4-methyl-2-tetradecoxyphenol
SMILESCCCCCCCCCCCCCCOc1cc(C)ccc1O
InChIInChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-21-18-19(2)15-16-20(21)22/h15-16,18,22H,3-14,17H2,1-2H3
InChIKeyMWPRHJJLSMSIIW-UHFFFAOYSA-N
XLogP6.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.78
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

2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
4-chloro-2-hexadecoxyphenol
CID 19014164
2-(3-methoxypropoxy)-4-methylphenol
CID 59224290
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-tridecoxyphenol
CID 67178320
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
(2-hydroxy-5-methylphenyl) octanoate
CID 101290745
7,15,22-tri(tetradecoxy)tetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-2,10,18-triyne-6,14,23-triol
CID 177400113
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
4-methyl-2-methylsulfanyl-1-octoxybenzene
CID 20650378

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-tetradecoxyphenol?
The IUPAC name of 4-methyl-2-tetradecoxyphenol (CID 19014152) is 4-methyl-2-tetradecoxyphenol.
What is the SMILES notation for 4-methyl-2-tetradecoxyphenol?
The canonical SMILES for 4-methyl-2-tetradecoxyphenol is CCCCCCCCCCCCCCOc1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-tetradecoxyphenol?
The InChIKey is MWPRHJJLSMSIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-21-18-19(2)15-16-20(21)22/h15-16,18,22H,3-14,17H2,1-2H3.
What are the key properties of 4-methyl-2-tetradecoxyphenol?
4-methyl-2-tetradecoxyphenol has a molecular weight of 320.52 g/mol, XLogP of 6.78, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-tetradecoxyphenol is sourced from PubChem (CID 19014152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).