13,13,13-triphenyltridecan-1-ol

C31H40O — CID 150406449

IUPAC13,13,13-triphenyltridecan-1-ol
SMILESOCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O/c32-27-19-8-6-4-2-1-3-5-7-18-26-31(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h9-17,20-25,32H,1-8,18-19,26-27H2
InChIKeyHEWAMLBXZMTFMZ-UHFFFAOYSA-N
MW428.66 g/mol
LogP8.30
Rot. Bonds15

About 13,13,13-triphenyltridecan-1-ol

13,13,13-triphenyltridecan-1-ol (PubChem CID 150406449) has the molecular formula C31H40O and a molecular weight of 428.66 g/mol. Its IUPAC name is 13,13,13-triphenyltridecan-1-ol.

Molecular Properties

Compound Name13,13,13-triphenyltridecan-1-ol
PubChem CID150406449
Molecular FormulaC31H40O
Molecular Weight428.66 g/mol
Exact Mass428.31
IUPAC Name13,13,13-triphenyltridecan-1-ol
SMILESOCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40O/c32-27-19-8-6-4-2-1-3-5-7-18-26-31(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h9-17,20-25,32H,1-8,18-19,26-27H2
InChIKeyHEWAMLBXZMTFMZ-UHFFFAOYSA-N
XLogP8.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Phenyl-1-pentanol
CID 61523
beta-Phenylphenethyl alcohol
CID 74662
Dimethyl phenylbutanol
CID 99870
2-Benzyl-2-methyl-1,3-propanediol
CID 299476
3,3-Diphenylpropanol
CID 29908
Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-
CID 92013
6-Phenyl-1-hexanol
CID 520110
2,2-Dimethyl-3-phenylpropanol
CID 83367
trans-(1R,3R)-3-[4-(2-methylnonan-2-yl)phenyl]cyclohexan-1-ol
CID 44452506
cis-(1R,3S)-3-[4-(2-methylheptan-2-yl)phenyl]cyclohexan-1-ol
CID 44452649
(1R*,3S*)-3-[4-(1,1-dimethylheptyl)phenyl]cyclohexanol
CID 44452650
(1-Phenylcyclopentyl)methanol
CID 123544

Frequently Asked Questions

What is the IUPAC name of 13,13,13-triphenyltridecan-1-ol?
The IUPAC name of 13,13,13-triphenyltridecan-1-ol (CID 150406449) is 13,13,13-triphenyltridecan-1-ol.
What is the SMILES notation for 13,13,13-triphenyltridecan-1-ol?
The canonical SMILES for 13,13,13-triphenyltridecan-1-ol is OCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 13,13,13-triphenyltridecan-1-ol?
The InChIKey is HEWAMLBXZMTFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40O/c32-27-19-8-6-4-2-1-3-5-7-18-26-31(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h9-17,20-25,32H,1-8,18-19,26-27H2.
What are the key properties of 13,13,13-triphenyltridecan-1-ol?
13,13,13-triphenyltridecan-1-ol has a molecular weight of 428.66 g/mol, XLogP of 8.30, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13,13-triphenyltridecan-1-ol is sourced from PubChem (CID 150406449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).