1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene

C16H24O2 — CID 22132061

IUPAC1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene
SMILESC=C(C)c1ccc(OC(C)(CC)OCCC)cc1
InChIInChI=1S/C16H24O2/c1-6-12-17-16(5,7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3
InChIKeyKUBRQRFNBVMWSV-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.65
Rot. Bonds7

About 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene

1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene (PubChem CID 22132061) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene.

Molecular Properties

Compound Name1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene
PubChem CID22132061
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene
SMILESC=C(C)c1ccc(OC(C)(CC)OCCC)cc1
InChIInChI=1S/C16H24O2/c1-6-12-17-16(5,7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3
InChIKeyKUBRQRFNBVMWSV-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-butoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22132058
1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22131994
1-(2-methylbutan-2-yloxy)-4-prop-1-en-2-ylbenzene
CID 22336719
1-(1-butoxy-2,2-dimethylpropoxy)-4-prop-1-en-2-ylbenzene
CID 22132053
1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938
1-[3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]-4-prop-1-en-2-ylbenzene;ethane
CID 163241395
tris(4-prop-1-en-2-ylphenyl) stiborite
CID 172799165
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
CID 21185662
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
CID 116747099

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene?
The IUPAC name of 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene (CID 22132061) is 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene.
What is the SMILES notation for 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene?
The canonical SMILES for 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene is C=C(C)c1ccc(OC(C)(CC)OCCC)cc1.
What is the InChIKey of 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene?
The InChIKey is KUBRQRFNBVMWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-12-17-16(5,7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3.
What are the key properties of 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene?
1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene has a molecular weight of 248.37 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-4-(2-propoxybutan-2-yloxy)benzene is sourced from PubChem (CID 22132061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).