bis(4-tridecylphenyl)methanol

C39H64O — CID 139673626

IUPACbis(4-tridecylphenyl)methanol
SMILESCCCCCCCCCCCCCc1ccc(C(O)c2ccc(CCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C39H64O/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-27-31-37(32-28-35)39(40)38-33-29-36(30-34-38)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34,39-40H,3-26H2,1-2H3
InChIKeyWRWJEGWOPGNAFV-UHFFFAOYSA-N
MW548.94 g/mol
LogP12.48
Rot. Bonds26

About bis(4-tridecylphenyl)methanol

bis(4-tridecylphenyl)methanol (PubChem CID 139673626) has the molecular formula C39H64O and a molecular weight of 548.94 g/mol. Its IUPAC name is bis(4-tridecylphenyl)methanol.

Molecular Properties

Compound Namebis(4-tridecylphenyl)methanol
PubChem CID139673626
Molecular FormulaC39H64O
Molecular Weight548.94 g/mol
Exact Mass548.50
IUPAC Namebis(4-tridecylphenyl)methanol
SMILESCCCCCCCCCCCCCc1ccc(C(O)c2ccc(CCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C39H64O/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-27-31-37(32-28-35)39(40)38-33-29-36(30-34-38)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34,39-40H,3-26H2,1-2H3
InChIKeyWRWJEGWOPGNAFV-UHFFFAOYSA-N
XLogP12.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.94
LogP ≤ 512.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-octylphenyl)ethanol
CID 67859464
2-(4-heptylphenyl)propane-1,3-diol
CID 14527851
(1R)-1-(4-heptylphenyl)-2-methylprop-2-en-1-ol
CID 129384682
1-[4-(4-hexylphenyl)phenyl]propan-1-ol
CID 19979106
1-butyl-4-nonylbenzene
CID 59545302
1,2-bis(4-octylphenyl)ethane-1,2-dithiol
CID 101102627
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
2-amino-1-(4-octylphenyl)propane-1,3-diol
CID 135162597
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076

Frequently Asked Questions

What is the IUPAC name of bis(4-tridecylphenyl)methanol?
The IUPAC name of bis(4-tridecylphenyl)methanol (CID 139673626) is bis(4-tridecylphenyl)methanol.
What is the SMILES notation for bis(4-tridecylphenyl)methanol?
The canonical SMILES for bis(4-tridecylphenyl)methanol is CCCCCCCCCCCCCc1ccc(C(O)c2ccc(CCCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of bis(4-tridecylphenyl)methanol?
The InChIKey is WRWJEGWOPGNAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H64O/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-27-31-37(32-28-35)39(40)38-33-29-36(30-34-38)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34,39-40H,3-26H2,1-2H3.
What are the key properties of bis(4-tridecylphenyl)methanol?
bis(4-tridecylphenyl)methanol has a molecular weight of 548.94 g/mol, XLogP of 12.48, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tridecylphenyl)methanol is sourced from PubChem (CID 139673626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).