(1,4-dimethoxy-4-phenylbutan-2-yl)benzene

C18H22O2 — CID 86013842

IUPAC(1,4-dimethoxy-4-phenylbutan-2-yl)benzene
SMILESCOCC(CC(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-19-14-17(15-9-5-3-6-10-15)13-18(20-2)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyUWGAMRGJCIRKRZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.19
Rot. Bonds7

About (1,4-dimethoxy-4-phenylbutan-2-yl)benzene

(1,4-dimethoxy-4-phenylbutan-2-yl)benzene (PubChem CID 86013842) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1,4-dimethoxy-4-phenylbutan-2-yl)benzene.

Molecular Properties

Compound Name(1,4-dimethoxy-4-phenylbutan-2-yl)benzene
PubChem CID86013842
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1,4-dimethoxy-4-phenylbutan-2-yl)benzene
SMILESCOCC(CC(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2/c1-19-14-17(15-9-5-3-6-10-15)13-18(20-2)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyUWGAMRGJCIRKRZ-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethoxy-4-phenylbutan-2-yl)benzene?
The IUPAC name of (1,4-dimethoxy-4-phenylbutan-2-yl)benzene (CID 86013842) is (1,4-dimethoxy-4-phenylbutan-2-yl)benzene.
What is the SMILES notation for (1,4-dimethoxy-4-phenylbutan-2-yl)benzene?
The canonical SMILES for (1,4-dimethoxy-4-phenylbutan-2-yl)benzene is COCC(CC(OC)c1ccccc1)c1ccccc1.
What is the InChIKey of (1,4-dimethoxy-4-phenylbutan-2-yl)benzene?
The InChIKey is UWGAMRGJCIRKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-19-14-17(15-9-5-3-6-10-15)13-18(20-2)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3.
What are the key properties of (1,4-dimethoxy-4-phenylbutan-2-yl)benzene?
(1,4-dimethoxy-4-phenylbutan-2-yl)benzene has a molecular weight of 270.37 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethoxy-4-phenylbutan-2-yl)benzene is sourced from PubChem (CID 86013842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).