1-propan-2-yl-2-prop-1-en-2-yloxybenzene

C12H16O — CID 22935766

IUPAC1-propan-2-yl-2-prop-1-en-2-yloxybenzene
SMILESC=C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C12H16O/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h5-9H,3H2,1-2,4H3
InChIKeyJLEPMVDHZOJGHJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.72
Rot. Bonds3

About 1-propan-2-yl-2-prop-1-en-2-yloxybenzene

1-propan-2-yl-2-prop-1-en-2-yloxybenzene (PubChem CID 22935766) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-propan-2-yl-2-prop-1-en-2-yloxybenzene.

Molecular Properties

Compound Name1-propan-2-yl-2-prop-1-en-2-yloxybenzene
PubChem CID22935766
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-propan-2-yl-2-prop-1-en-2-yloxybenzene
SMILESC=C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C12H16O/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h5-9H,3H2,1-2,4H3
InChIKeyJLEPMVDHZOJGHJ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-bromo-2-prop-1-en-2-yloxybenzene
CID 156775393
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
1-propan-2-yl-2-(prop-1-en-2-yloxymethyl)benzene
CID 173233215
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene
CID 19352226
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092
hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium
CID 172760226
CID 174063143
CID 174063143
(2-propan-2-ylphenyl) N-(2-chloroethenyl)carbamate
CID 71409311
1-O-heptadecyl 2-O-(2-propan-2-ylphenyl) oxalate
CID 6422970

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-prop-1-en-2-yloxybenzene?
The IUPAC name of 1-propan-2-yl-2-prop-1-en-2-yloxybenzene (CID 22935766) is 1-propan-2-yl-2-prop-1-en-2-yloxybenzene.
What is the SMILES notation for 1-propan-2-yl-2-prop-1-en-2-yloxybenzene?
The canonical SMILES for 1-propan-2-yl-2-prop-1-en-2-yloxybenzene is C=C(C)Oc1ccccc1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-prop-1-en-2-yloxybenzene?
The InChIKey is JLEPMVDHZOJGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h5-9H,3H2,1-2,4H3.
What are the key properties of 1-propan-2-yl-2-prop-1-en-2-yloxybenzene?
1-propan-2-yl-2-prop-1-en-2-yloxybenzene has a molecular weight of 176.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-prop-1-en-2-yloxybenzene is sourced from PubChem (CID 22935766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).