phenyl-(2-tridecylphenyl)methanone

C26H36O — CID 159151783

IUPACphenyl-(2-tridecylphenyl)methanone
SMILESCCCCCCCCCCCCCc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H36O/c1-2-3-4-5-6-7-8-9-10-11-13-18-23-19-16-17-22-25(23)26(27)24-20-14-12-15-21-24/h12,14-17,19-22H,2-11,13,18H2,1H3
InChIKeyKJJSTIRMAQMKKZ-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.77
Rot. Bonds14

About phenyl-(2-tridecylphenyl)methanone

phenyl-(2-tridecylphenyl)methanone (PubChem CID 159151783) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is phenyl-(2-tridecylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(2-tridecylphenyl)methanone
PubChem CID159151783
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Namephenyl-(2-tridecylphenyl)methanone
SMILESCCCCCCCCCCCCCc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H36O/c1-2-3-4-5-6-7-8-9-10-11-13-18-23-19-16-17-22-25(23)26(27)24-20-14-12-15-21-24/h12,14-17,19-22H,2-11,13,18H2,1H3
InChIKeyKJJSTIRMAQMKKZ-UHFFFAOYSA-N
XLogP7.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-hexylphenyl)-(4-phenylphenyl)methanone
CID 151469512
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
[2-(10-chlorodecyl)phenyl]-phenylmethanone
CID 157301070
CID 159889030
CID 159889030
azane;2-octylbenzoic acid
CID 70171834
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
2-octylbenzamide
CID 11148995
2-dodecylbenzenecarbothioic S-acid
CID 19748613
(3-benzoyl-5-hexyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 516965

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-tridecylphenyl)methanone?
The IUPAC name of phenyl-(2-tridecylphenyl)methanone (CID 159151783) is phenyl-(2-tridecylphenyl)methanone.
What is the SMILES notation for phenyl-(2-tridecylphenyl)methanone?
The canonical SMILES for phenyl-(2-tridecylphenyl)methanone is CCCCCCCCCCCCCc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-(2-tridecylphenyl)methanone?
The InChIKey is KJJSTIRMAQMKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O/c1-2-3-4-5-6-7-8-9-10-11-13-18-23-19-16-17-22-25(23)26(27)24-20-14-12-15-21-24/h12,14-17,19-22H,2-11,13,18H2,1H3.
What are the key properties of phenyl-(2-tridecylphenyl)methanone?
phenyl-(2-tridecylphenyl)methanone has a molecular weight of 364.57 g/mol, XLogP of 7.77, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-tridecylphenyl)methanone is sourced from PubChem (CID 159151783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).