1-ethenyl-2-methoxy-4-propan-2-ylbenzene

C12H16O — CID 67419573

IUPAC1-ethenyl-2-methoxy-4-propan-2-ylbenzene
SMILESC=Cc1ccc(C(C)C)cc1OC
InChIInChI=1S/C12H16O/c1-5-10-6-7-11(9(2)3)8-12(10)13-4/h5-9H,1H2,2-4H3
InChIKeyIJGFRVWFFQVAHK-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.46
Rot. Bonds3

About 1-ethenyl-2-methoxy-4-propan-2-ylbenzene

1-ethenyl-2-methoxy-4-propan-2-ylbenzene (PubChem CID 67419573) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethenyl-2-methoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-methoxy-4-propan-2-ylbenzene
PubChem CID67419573
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-ethenyl-2-methoxy-4-propan-2-ylbenzene
SMILESC=Cc1ccc(C(C)C)cc1OC
InChIInChI=1S/C12H16O/c1-5-10-6-7-11(9(2)3)8-12(10)13-4/h5-9H,1H2,2-4H3
InChIKeyIJGFRVWFFQVAHK-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
2-(2-ethenyl-5-propan-2-ylphenoxy)oxolane
CID 139905566
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
2-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 142382594
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256
2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane
CID 142106307
2-ethenyl-4-propan-2-ylbenzenethiol
CID 155112064
1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one
CID 82282797
4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 18716327
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
1-ethenyl-2-nitro-4-propan-2-ylbenzene
CID 19936978

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methoxy-4-propan-2-ylbenzene?
The IUPAC name of 1-ethenyl-2-methoxy-4-propan-2-ylbenzene (CID 67419573) is 1-ethenyl-2-methoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-ethenyl-2-methoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-ethenyl-2-methoxy-4-propan-2-ylbenzene is C=Cc1ccc(C(C)C)cc1OC.
What is the InChIKey of 1-ethenyl-2-methoxy-4-propan-2-ylbenzene?
The InChIKey is IJGFRVWFFQVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-5-10-6-7-11(9(2)3)8-12(10)13-4/h5-9H,1H2,2-4H3.
What are the key properties of 1-ethenyl-2-methoxy-4-propan-2-ylbenzene?
1-ethenyl-2-methoxy-4-propan-2-ylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 67419573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).