1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene

C22H20O — CID 145094302

IUPAC1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene
SMILESC=C(c1ccccc1)c1ccc(Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H20O/c1-16-9-12-22(15-17(16)2)23-21-13-10-20(11-14-21)18(3)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3
InChIKeyKLNBNXGUYATVMS-UHFFFAOYSA-N
MW300.40 g/mol
LogP6.16
Rot. Bonds4

About 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene

1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene (PubChem CID 145094302) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene
PubChem CID145094302
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene
SMILESC=C(c1ccccc1)c1ccc(Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H20O/c1-16-9-12-22(15-17(16)2)23-21-13-10-20(11-14-21)18(3)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3
InChIKeyKLNBNXGUYATVMS-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene?
The IUPAC name of 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene (CID 145094302) is 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene?
The canonical SMILES for 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene is C=C(c1ccccc1)c1ccc(Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene?
The InChIKey is KLNBNXGUYATVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-16-9-12-22(15-17(16)2)23-21-13-10-20(11-14-21)18(3)19-7-5-4-6-8-19/h4-15H,3H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene?
1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene has a molecular weight of 300.40 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[4-(1-phenylethenyl)phenoxy]benzene is sourced from PubChem (CID 145094302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).