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

C14H22O — CID 20769463

IUPAC2-ethoxy-1,3-di(propan-2-yl)benzene
SMILESCCOc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H22O/c1-6-15-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3
InChIKeyRPRVVDLULKXCLG-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.33
Rot. Bonds4

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

2-ethoxy-1,3-di(propan-2-yl)benzene (PubChem CID 20769463) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethoxy-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-ethoxy-1,3-di(propan-2-yl)benzene
PubChem CID20769463
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-ethoxy-1,3-di(propan-2-yl)benzene
SMILESCCOc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C14H22O/c1-6-15-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3
InChIKeyRPRVVDLULKXCLG-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-ethoxy-1,3-di(propan-2-yl)benzene (CID 20769463) is 2-ethoxy-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-ethoxy-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-ethoxy-1,3-di(propan-2-yl)benzene is CCOc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-ethoxy-1,3-di(propan-2-yl)benzene?
The InChIKey is RPRVVDLULKXCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-15-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3.
What are the key properties of 2-ethoxy-1,3-di(propan-2-yl)benzene?
2-ethoxy-1,3-di(propan-2-yl)benzene has a molecular weight of 206.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 20769463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).