4-[4-(4-methyldodecoxy)phenyl]phenol

C25H36O2 — CID 70404459

IUPAC4-[4-(4-methyldodecoxy)phenyl]phenol
SMILESCCCCCCCCC(C)CCCOc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C25H36O2/c1-3-4-5-6-7-8-10-21(2)11-9-20-27-25-18-14-23(15-19-25)22-12-16-24(26)17-13-22/h12-19,21,26H,3-11,20H2,1-2H3
InChIKeyJVDMIGTZXLNSRT-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.60
Rot. Bonds13

About 4-[4-(4-methyldodecoxy)phenyl]phenol

4-[4-(4-methyldodecoxy)phenyl]phenol (PubChem CID 70404459) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 4-[4-(4-methyldodecoxy)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-methyldodecoxy)phenyl]phenol
PubChem CID70404459
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name4-[4-(4-methyldodecoxy)phenyl]phenol
SMILESCCCCCCCCC(C)CCCOc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C25H36O2/c1-3-4-5-6-7-8-10-21(2)11-9-20-27-25-18-14-23(15-19-25)22-12-16-24(26)17-13-22/h12-19,21,26H,3-11,20H2,1-2H3
InChIKeyJVDMIGTZXLNSRT-UHFFFAOYSA-N
XLogP7.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.60
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-(6-methyldecoxy)phenol
CID 14495583
1-decoxy-4-[4-(6-methyloctoxy)phenyl]benzene
CID 67920503
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
4-octadecoxyphenol
CID 22179059
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
1-(5-decoxy-3-methylpentoxy)-4-[4-(5-decoxypentoxy)phenyl]benzene
CID 162476664
(2R)-2-methyl-3-[4-(4-octoxyphenyl)phenoxy]propan-1-ol
CID 54305802
1-decoxy-4-[4-(5-decoxy-3-methylpentoxy)phenyl]benzene
CID 162476675
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyldodecoxy)phenyl]phenol?
The IUPAC name of 4-[4-(4-methyldodecoxy)phenyl]phenol (CID 70404459) is 4-[4-(4-methyldodecoxy)phenyl]phenol.
What is the SMILES notation for 4-[4-(4-methyldodecoxy)phenyl]phenol?
The canonical SMILES for 4-[4-(4-methyldodecoxy)phenyl]phenol is CCCCCCCCC(C)CCCOc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(4-methyldodecoxy)phenyl]phenol?
The InChIKey is JVDMIGTZXLNSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-3-4-5-6-7-8-10-21(2)11-9-20-27-25-18-14-23(15-19-25)22-12-16-24(26)17-13-22/h12-19,21,26H,3-11,20H2,1-2H3.
What are the key properties of 4-[4-(4-methyldodecoxy)phenyl]phenol?
4-[4-(4-methyldodecoxy)phenyl]phenol has a molecular weight of 368.56 g/mol, XLogP of 7.60, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyldodecoxy)phenyl]phenol is sourced from PubChem (CID 70404459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).