2-methoxy-1,3-di(propan-2-yl)benzene

C13H20O — CID 600975

IUPAC2-methoxy-1,3-di(propan-2-yl)benzene
SMILESCOc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C13H20O/c1-9(2)11-7-6-8-12(10(3)4)13(11)14-5/h6-10H,1-5H3
InChIKeyNJIYPCPZILAPKS-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.94
Rot. Bonds3

About 2-methoxy-1,3-di(propan-2-yl)benzene

2-methoxy-1,3-di(propan-2-yl)benzene (PubChem CID 600975) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methoxy-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-methoxy-1,3-di(propan-2-yl)benzene
PubChem CID600975
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methoxy-1,3-di(propan-2-yl)benzene
SMILESCOc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C13H20O/c1-9(2)11-7-6-8-12(10(3)4)13(11)14-5/h6-10H,1-5H3
InChIKeyNJIYPCPZILAPKS-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-methoxy-1,3-di(propan-2-yl)benzene (CID 600975) is 2-methoxy-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-methoxy-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-methoxy-1,3-di(propan-2-yl)benzene is COc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-methoxy-1,3-di(propan-2-yl)benzene?
The InChIKey is NJIYPCPZILAPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9(2)11-7-6-8-12(10(3)4)13(11)14-5/h6-10H,1-5H3.
What are the key properties of 2-methoxy-1,3-di(propan-2-yl)benzene?
2-methoxy-1,3-di(propan-2-yl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 600975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).