2,3-dimethyl-1,4-bis(1-phenylethyl)benzene

C24H26 — CID 3017875

IUPAC2,3-dimethyl-1,4-bis(1-phenylethyl)benzene
SMILESCc1c(C(C)c2ccccc2)ccc(C(C)c2ccccc2)c1C
InChIInChI=1S/C24H26/c1-17-18(2)24(20(4)22-13-9-6-10-14-22)16-15-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3
InChIKeyKCPQNKJBLIGNBN-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.61
Rot. Bonds4

About 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene

2,3-dimethyl-1,4-bis(1-phenylethyl)benzene (PubChem CID 3017875) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene.

Molecular Properties

Compound Name2,3-dimethyl-1,4-bis(1-phenylethyl)benzene
PubChem CID3017875
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name2,3-dimethyl-1,4-bis(1-phenylethyl)benzene
SMILESCc1c(C(C)c2ccccc2)ccc(C(C)c2ccccc2)c1C
InChIInChI=1S/C24H26/c1-17-18(2)24(20(4)22-13-9-6-10-14-22)16-15-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3
InChIKeyKCPQNKJBLIGNBN-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene?
The IUPAC name of 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene (CID 3017875) is 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene.
What is the SMILES notation for 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene?
The canonical SMILES for 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene is Cc1c(C(C)c2ccccc2)ccc(C(C)c2ccccc2)c1C.
What is the InChIKey of 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene?
The InChIKey is KCPQNKJBLIGNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-17-18(2)24(20(4)22-13-9-6-10-14-22)16-15-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3.
What are the key properties of 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene?
2,3-dimethyl-1,4-bis(1-phenylethyl)benzene has a molecular weight of 314.47 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-bis(1-phenylethyl)benzene is sourced from PubChem (CID 3017875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).