7-octadecyl-1-phenylpentacosan-2-ol

C49H92O — CID 162497246

IUPAC7-octadecyl-1-phenylpentacosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CCCCC(O)Cc1ccccc1
InChIInChI=1S/C49H92O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40-47(42-38-39-45-49(50)46-48-43-36-33-37-44-48)41-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-37,43-44,47,49-50H,3-32,34-35,38-42,45-46H2,1-2H3
InChIKeyZUYPGGLNQSPAIH-UHFFFAOYSA-N
MW697.27 g/mol
LogP17.07
Rot. Bonds41

About 7-octadecyl-1-phenylpentacosan-2-ol

7-octadecyl-1-phenylpentacosan-2-ol (PubChem CID 162497246) has the molecular formula C49H92O and a molecular weight of 697.27 g/mol. Its IUPAC name is 7-octadecyl-1-phenylpentacosan-2-ol.

Molecular Properties

Compound Name7-octadecyl-1-phenylpentacosan-2-ol
PubChem CID162497246
Molecular FormulaC49H92O
Molecular Weight697.27 g/mol
Exact Mass696.71
IUPAC Name7-octadecyl-1-phenylpentacosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CCCCC(O)Cc1ccccc1
InChIInChI=1S/C49H92O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40-47(42-38-39-45-49(50)46-48-43-36-33-37-44-48)41-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-37,43-44,47,49-50H,3-32,34-35,38-42,45-46H2,1-2H3
InChIKeyZUYPGGLNQSPAIH-UHFFFAOYSA-N
XLogP17.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds41
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.27
LogP ≤ 517.07
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

(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
2-benzyltetradecylbenzene
CID 22920205
2-benzyloctadecan-1-ol
CID 67814123
5-methylsulfanyl-1-phenyldodecan-2-ol
CID 54417613
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
1-(4-methylphenyl)octan-2-ol
CID 62607878
1-(benzylamino)decan-2-ol
CID 42614665
1-(benzylamino)octan-2-ol
CID 71341698
(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
1-(3-bromophenyl)octan-2-ol
CID 63411241

Frequently Asked Questions

What is the IUPAC name of 7-octadecyl-1-phenylpentacosan-2-ol?
The IUPAC name of 7-octadecyl-1-phenylpentacosan-2-ol (CID 162497246) is 7-octadecyl-1-phenylpentacosan-2-ol.
What is the SMILES notation for 7-octadecyl-1-phenylpentacosan-2-ol?
The canonical SMILES for 7-octadecyl-1-phenylpentacosan-2-ol is CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CCCCC(O)Cc1ccccc1.
What is the InChIKey of 7-octadecyl-1-phenylpentacosan-2-ol?
The InChIKey is ZUYPGGLNQSPAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H92O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40-47(42-38-39-45-49(50)46-48-43-36-33-37-44-48)41-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-37,43-44,47,49-50H,3-32,34-35,38-42,45-46H2,1-2H3.
What are the key properties of 7-octadecyl-1-phenylpentacosan-2-ol?
7-octadecyl-1-phenylpentacosan-2-ol has a molecular weight of 697.27 g/mol, XLogP of 17.07, 41 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-octadecyl-1-phenylpentacosan-2-ol is sourced from PubChem (CID 162497246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).