1-ethenyl-2-propan-2-yloxybenzene

C11H14O — CID 5461811

IUPAC1-ethenyl-2-propan-2-yloxybenzene
SMILESC=Cc1ccccc1OC(C)C
InChIInChI=1S/C11H14O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4-9H,1H2,2-3H3
InChIKeySXCKVSZTZAMSRS-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.12
Rot. Bonds3

About 1-ethenyl-2-propan-2-yloxybenzene

1-ethenyl-2-propan-2-yloxybenzene (PubChem CID 5461811) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-ethenyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-ethenyl-2-propan-2-yloxybenzene
PubChem CID5461811
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-ethenyl-2-propan-2-yloxybenzene
SMILESC=Cc1ccccc1OC(C)C
InChIInChI=1S/C11H14O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4-9H,1H2,2-3H3
InChIKeySXCKVSZTZAMSRS-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-propan-2-yloxybenzene?
The IUPAC name of 1-ethenyl-2-propan-2-yloxybenzene (CID 5461811) is 1-ethenyl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-ethenyl-2-propan-2-yloxybenzene?
The canonical SMILES for 1-ethenyl-2-propan-2-yloxybenzene is C=Cc1ccccc1OC(C)C.
What is the InChIKey of 1-ethenyl-2-propan-2-yloxybenzene?
The InChIKey is SXCKVSZTZAMSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4-9H,1H2,2-3H3.
What are the key properties of 1-ethenyl-2-propan-2-yloxybenzene?
1-ethenyl-2-propan-2-yloxybenzene has a molecular weight of 162.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 5461811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).