4-(6-methyldecoxy)phenol

C17H28O2 — CID 14495583

IUPAC4-(6-methyldecoxy)phenol
SMILESCCCCC(C)CCCCCOc1ccc(O)cc1
InChIInChI=1S/C17H28O2/c1-3-4-8-15(2)9-6-5-7-14-19-17-12-10-16(18)11-13-17/h10-13,15,18H,3-9,14H2,1-2H3
InChIKeyHVQMGNYOMFEMRQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.16
Rot. Bonds10

About 4-(6-methyldecoxy)phenol

4-(6-methyldecoxy)phenol (PubChem CID 14495583) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(6-methyldecoxy)phenol.

Molecular Properties

Compound Name4-(6-methyldecoxy)phenol
PubChem CID14495583
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name4-(6-methyldecoxy)phenol
SMILESCCCCC(C)CCCCCOc1ccc(O)cc1
InChIInChI=1S/C17H28O2/c1-3-4-8-15(2)9-6-5-7-14-19-17-12-10-16(18)11-13-17/h10-13,15,18H,3-9,14H2,1-2H3
InChIKeyHVQMGNYOMFEMRQ-UHFFFAOYSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.16
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

4-[4-(4-methyldodecoxy)phenyl]phenol
CID 70404459
4-octadecoxyphenol
CID 22179059
4-[6-methyl-7-[4-(6-methylheptoxy)phenoxy]heptoxy]phenol
CID 11259293
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
4-[(4-hydroxyphenyl)-(4-octoxyphenyl)methyl]phenol
CID 139680451
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
1-decoxy-4-[4-(6-methyloctoxy)phenyl]benzene
CID 67920503
4-(2-fluorooctoxy)phenol
CID 14401559
8-(4-hydroxyphenoxy)-2-methyloctanoic acid
CID 10220978
4-[(6S)-6-methylnonoxy]benzoic acid
CID 18634887
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyldecoxy)phenol?
The IUPAC name of 4-(6-methyldecoxy)phenol (CID 14495583) is 4-(6-methyldecoxy)phenol.
What is the SMILES notation for 4-(6-methyldecoxy)phenol?
The canonical SMILES for 4-(6-methyldecoxy)phenol is CCCCC(C)CCCCCOc1ccc(O)cc1.
What is the InChIKey of 4-(6-methyldecoxy)phenol?
The InChIKey is HVQMGNYOMFEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-8-15(2)9-6-5-7-14-19-17-12-10-16(18)11-13-17/h10-13,15,18H,3-9,14H2,1-2H3.
What are the key properties of 4-(6-methyldecoxy)phenol?
4-(6-methyldecoxy)phenol has a molecular weight of 264.41 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyldecoxy)phenol is sourced from PubChem (CID 14495583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).