ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane

C32H44O — CID 142158442

IUPACethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane
SMILESC=C=O.CC.CCC.CCCc1cc(C(C)c2ccccc2)c(-c2ccc(C)cc2)cc1C
InChIInChI=1S/C25H28.C3H8.C2H2O.C2H6/c1-5-9-23-17-24(20(4)21-10-7-6-8-11-21)25(16-19(23)3)22-14-12-18(2)13-15-22;1-3-2;1-2-3;1-2/h6-8,10-17,20H,5,9H2,1-4H3;3H2,1-2H3;1H2;1-2H3
InChIKeyQVEBGTYHSFXWBQ-UHFFFAOYSA-N
MW444.70 g/mol
LogP9.52
Rot. Bonds5

About ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane

ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane (PubChem CID 142158442) has the molecular formula C32H44O and a molecular weight of 444.70 g/mol. Its IUPAC name is ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane.

Molecular Properties

Compound Nameethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane
PubChem CID142158442
Molecular FormulaC32H44O
Molecular Weight444.70 g/mol
Exact Mass444.34
IUPAC Nameethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane
SMILESC=C=O.CC.CCC.CCCc1cc(C(C)c2ccccc2)c(-c2ccc(C)cc2)cc1C
InChIInChI=1S/C25H28.C3H8.C2H2O.C2H6/c1-5-9-23-17-24(20(4)21-10-7-6-8-11-21)25(16-19(23)3)22-14-12-18(2)13-15-22;1-3-2;1-2-3;1-2/h6-8,10-17,20H,5,9H2,1-4H3;3H2,1-2H3;1H2;1-2H3
InChIKeyQVEBGTYHSFXWBQ-UHFFFAOYSA-N
XLogP9.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-phenyl-1-(1-phenylethyl)benzene
CID 123164572
benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
CID 143650226
1-methyl-4-[4-(4-methylphenyl)phenyl]-2,5-dipropylbenzene
CID 59821643
1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
CID 59821666
ethane;1-ethyl-4-methylbenzene;1-ethyl-2-propylbenzene;methane;1-propan-2-yl-4-propylbenzene
CID 176686204
1-ethyl-2-methyl-5-propan-2-yl-4-propylbenzene
CID 123747776
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
1,2-bis(4-methylphenyl)-3-propylbenzene
CID 173306063
methyl 3-[(1R)-1-phenylethyl]-4-propylbenzoate
CID 170646622
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
CID 142590749

Frequently Asked Questions

What is the IUPAC name of ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane?
The IUPAC name of ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane (CID 142158442) is ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane.
What is the SMILES notation for ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane?
The canonical SMILES for ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane is C=C=O.CC.CCC.CCCc1cc(C(C)c2ccccc2)c(-c2ccc(C)cc2)cc1C.
What is the InChIKey of ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane?
The InChIKey is QVEBGTYHSFXWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28.C3H8.C2H2O.C2H6/c1-5-9-23-17-24(20(4)21-10-7-6-8-11-21)25(16-19(23)3)22-14-12-18(2)13-15-22;1-3-2;1-2-3;1-2/h6-8,10-17,20H,5,9H2,1-4H3;3H2,1-2H3;1H2;1-2H3.
What are the key properties of ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane?
ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane has a molecular weight of 444.70 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenone;1-methyl-5-(4-methylphenyl)-4-(1-phenylethyl)-2-propylbenzene;propane is sourced from PubChem (CID 142158442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).