phenyl-(2,3,4,5-tetrapropylphenyl)methanone

C25H34O — CID 134864036

IUPACphenyl-(2,3,4,5-tetrapropylphenyl)methanone
SMILESCCCc1cc(C(=O)c2ccccc2)c(CCC)c(CCC)c1CCC
InChIInChI=1S/C25H34O/c1-5-12-20-18-24(25(26)19-16-10-9-11-17-19)23(15-8-4)22(14-7-3)21(20)13-6-2/h9-11,16-18H,5-8,12-15H2,1-4H3
InChIKeyFSRVHOZHXGBTKE-UHFFFAOYSA-N
MW350.55 g/mol
LogP6.73
Rot. Bonds10

About phenyl-(2,3,4,5-tetrapropylphenyl)methanone

phenyl-(2,3,4,5-tetrapropylphenyl)methanone (PubChem CID 134864036) has the molecular formula C25H34O and a molecular weight of 350.55 g/mol. Its IUPAC name is phenyl-(2,3,4,5-tetrapropylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(2,3,4,5-tetrapropylphenyl)methanone
PubChem CID134864036
Molecular FormulaC25H34O
Molecular Weight350.55 g/mol
Exact Mass350.26
IUPAC Namephenyl-(2,3,4,5-tetrapropylphenyl)methanone
SMILESCCCc1cc(C(=O)c2ccccc2)c(CCC)c(CCC)c1CCC
InChIInChI=1S/C25H34O/c1-5-12-20-18-24(25(26)19-16-10-9-11-17-19)23(15-8-4)22(14-7-3)21(20)13-6-2/h9-11,16-18H,5-8,12-15H2,1-4H3
InChIKeyFSRVHOZHXGBTKE-UHFFFAOYSA-N
XLogP6.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
(2-amino-3,4-dipropylphenyl)-phenylmethanone
CID 154351124
(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 23109188
N-benzoyl-2,3-dipropylbenzamide
CID 175499264
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
(3-benzoyl-5-hexyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 516965
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
phenyl-(2-tridecylphenyl)methanone
CID 159151783
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,3,4,5-tetrapropylphenyl)methanone?
The IUPAC name of phenyl-(2,3,4,5-tetrapropylphenyl)methanone (CID 134864036) is phenyl-(2,3,4,5-tetrapropylphenyl)methanone.
What is the SMILES notation for phenyl-(2,3,4,5-tetrapropylphenyl)methanone?
The canonical SMILES for phenyl-(2,3,4,5-tetrapropylphenyl)methanone is CCCc1cc(C(=O)c2ccccc2)c(CCC)c(CCC)c1CCC.
What is the InChIKey of phenyl-(2,3,4,5-tetrapropylphenyl)methanone?
The InChIKey is FSRVHOZHXGBTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O/c1-5-12-20-18-24(25(26)19-16-10-9-11-17-19)23(15-8-4)22(14-7-3)21(20)13-6-2/h9-11,16-18H,5-8,12-15H2,1-4H3.
What are the key properties of phenyl-(2,3,4,5-tetrapropylphenyl)methanone?
phenyl-(2,3,4,5-tetrapropylphenyl)methanone has a molecular weight of 350.55 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,3,4,5-tetrapropylphenyl)methanone is sourced from PubChem (CID 134864036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).