1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene

C15H22O — CID 159812574

IUPAC1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)c(OC(C)(C)C)c(C)c1
InChIInChI=1S/C15H22O/c1-10(2)13-8-11(3)14(12(4)9-13)16-15(5,6)7/h8-9H,1H2,2-7H3
InChIKeyNLFFUWZOEQKQHG-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.51
Rot. Bonds2

About 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene

1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene (PubChem CID 159812574) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene
PubChem CID159812574
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)c(OC(C)(C)C)c(C)c1
InChIInChI=1S/C15H22O/c1-10(2)13-8-11(3)14(12(4)9-13)16-15(5,6)7/h8-9H,1H2,2-7H3
InChIKeyNLFFUWZOEQKQHG-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene
CID 91563538
1-methyl-3,5-bis(prop-1-en-2-yl)benzene
CID 142935126
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840
1-bromo-3-tert-butyl-5-prop-1-en-2-ylbenzene
CID 86719126
2,3-diethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]phenol
CID 162375128
2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol
CID 155313673
2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol
CID 174880154
1,3,5-tris[3,5-bis(prop-1-en-2-yl)phenyl]benzene
CID 101246721
4-(4-carboxy-2,6-dimethylphenoxy)-3,5-dimethylbenzoic acid
CID 139991127
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134
2-fluoro-6-methyl-4-prop-1-en-2-ylbenzamide
CID 177031736
2,7-bis(prop-1-en-2-yl)pyrene
CID 162639886

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene?
The IUPAC name of 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene (CID 159812574) is 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene?
The canonical SMILES for 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene is C=C(C)c1cc(C)c(OC(C)(C)C)c(C)c1.
What is the InChIKey of 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene?
The InChIKey is NLFFUWZOEQKQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10(2)13-8-11(3)14(12(4)9-13)16-15(5,6)7/h8-9H,1H2,2-7H3.
What are the key properties of 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene?
1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene is sourced from PubChem (CID 159812574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).