2-methyl-1,3-bis(1-phenylethyl)benzene

C23H24 — CID 58862393

IUPAC2-methyl-1,3-bis(1-phenylethyl)benzene
SMILESCc1c(C(C)c2ccccc2)cccc1C(C)c1ccccc1
InChIInChI=1S/C23H24/c1-17(20-11-6-4-7-12-20)22-15-10-16-23(19(22)3)18(2)21-13-8-5-9-14-21/h4-18H,1-3H3
InChIKeyPAWGCOPMLHDJAX-UHFFFAOYSA-N
MW300.44 g/mol
LogP6.30
Rot. Bonds4

About 2-methyl-1,3-bis(1-phenylethyl)benzene

2-methyl-1,3-bis(1-phenylethyl)benzene (PubChem CID 58862393) has the molecular formula C23H24 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-methyl-1,3-bis(1-phenylethyl)benzene.

Molecular Properties

Compound Name2-methyl-1,3-bis(1-phenylethyl)benzene
PubChem CID58862393
Molecular FormulaC23H24
Molecular Weight300.44 g/mol
Exact Mass300.19
IUPAC Name2-methyl-1,3-bis(1-phenylethyl)benzene
SMILESCc1c(C(C)c2ccccc2)cccc1C(C)c1ccccc1
InChIInChI=1S/C23H24/c1-17(20-11-6-4-7-12-20)22-15-10-16-23(19(22)3)18(2)21-13-8-5-9-14-21/h4-18H,1-3H3
InChIKeyPAWGCOPMLHDJAX-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
CID 18968375
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646
2-methyl-6-(1-phenylethyl)benzoic acid
CID 172685979
1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
CID 69309160
benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
CID 143650226
ethane;methane;1-phenylethylbenzene
CID 143105414
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(1-phenylethyl)benzene?
The IUPAC name of 2-methyl-1,3-bis(1-phenylethyl)benzene (CID 58862393) is 2-methyl-1,3-bis(1-phenylethyl)benzene.
What is the SMILES notation for 2-methyl-1,3-bis(1-phenylethyl)benzene?
The canonical SMILES for 2-methyl-1,3-bis(1-phenylethyl)benzene is Cc1c(C(C)c2ccccc2)cccc1C(C)c1ccccc1.
What is the InChIKey of 2-methyl-1,3-bis(1-phenylethyl)benzene?
The InChIKey is PAWGCOPMLHDJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-17(20-11-6-4-7-12-20)22-15-10-16-23(19(22)3)18(2)21-13-8-5-9-14-21/h4-18H,1-3H3.
What are the key properties of 2-methyl-1,3-bis(1-phenylethyl)benzene?
2-methyl-1,3-bis(1-phenylethyl)benzene has a molecular weight of 300.44 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(1-phenylethyl)benzene is sourced from PubChem (CID 58862393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).