2-benzyl-3-ethyl-1-methyl-4-phenylbenzene

C22H22 — CID 173399247

IUPAC2-benzyl-3-ethyl-1-methyl-4-phenylbenzene
SMILESCCc1c(-c2ccccc2)ccc(C)c1Cc1ccccc1
InChIInChI=1S/C22H22/c1-3-20-21(19-12-8-5-9-13-19)15-14-17(2)22(20)16-18-10-6-4-7-11-18/h4-15H,3,16H2,1-2H3
InChIKeyIAMZFJZJFAIUIW-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.82
Rot. Bonds4

About 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene

2-benzyl-3-ethyl-1-methyl-4-phenylbenzene (PubChem CID 173399247) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene.

Molecular Properties

Compound Name2-benzyl-3-ethyl-1-methyl-4-phenylbenzene
PubChem CID173399247
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name2-benzyl-3-ethyl-1-methyl-4-phenylbenzene
SMILESCCc1c(-c2ccccc2)ccc(C)c1Cc1ccccc1
InChIInChI=1S/C22H22/c1-3-20-21(19-12-8-5-9-13-19)15-14-17(2)22(20)16-18-10-6-4-7-11-18/h4-15H,3,16H2,1-2H3
InChIKeyIAMZFJZJFAIUIW-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-diethyl-1,4-diphenylbenzene
CID 59383229
ethoxyethane;1,2,3-triethyl-4-phenylbenzene
CID 66697424
2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol
CID 70170016
2-[4-[[3,5-bis[[4-(2-carboxy-3-phenylphenyl)phenyl]methyl]-2,4,6-triethylphenyl]methyl]phenyl]-6-phenylbenzoic acid
CID 102444686
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium
CID 66871039
2-benzyl-3,4-diethyl-6-methylphenol
CID 71428370
2,6-diethyl-3-phenylphenol
CID 101302345
2-benzyl-7-methyl-4-phenyl-1H-indene
CID 87188010
(2-benzyl-3-methylphenyl)phosphane
CID 54016986
2-benzyl-1-iodo-3-methylbenzene
CID 91202861
2-benzyl-6-[3,5-bis(2-amino-3-benzyl-4-ethylphenyl)phenyl]-3-ethylaniline
CID 19885835

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene?
The IUPAC name of 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene (CID 173399247) is 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene.
What is the SMILES notation for 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene?
The canonical SMILES for 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene is CCc1c(-c2ccccc2)ccc(C)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene?
The InChIKey is IAMZFJZJFAIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-3-20-21(19-12-8-5-9-13-19)15-14-17(2)22(20)16-18-10-6-4-7-11-18/h4-15H,3,16H2,1-2H3.
What are the key properties of 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene?
2-benzyl-3-ethyl-1-methyl-4-phenylbenzene has a molecular weight of 286.42 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethyl-1-methyl-4-phenylbenzene is sourced from PubChem (CID 173399247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).