4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran

C20H22O — CID 100935379

IUPAC4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran
SMILESC=C(C)c1ccc(C)c2oc3c(C)ccc(C(C)C)c3c12
InChIInChI=1S/C20H22O/c1-11(2)15-9-7-13(5)19-17(15)18-16(12(3)4)10-8-14(6)20(18)21-19/h7-10,12H,1H2,2-6H3
InChIKeyMGIXTVBBARMXGP-UHFFFAOYSA-N
MW278.40 g/mol
LogP6.36
Rot. Bonds2

About 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran

4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran (PubChem CID 100935379) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran.

Molecular Properties

Compound Name4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran
PubChem CID100935379
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran
SMILESC=C(C)c1ccc(C)c2oc3c(C)ccc(C(C)C)c3c12
InChIInChI=1S/C20H22O/c1-11(2)15-9-7-13(5)19-17(15)18-16(12(3)4)10-8-14(6)20(18)21-19/h7-10,12H,1H2,2-6H3
InChIKeyMGIXTVBBARMXGP-UHFFFAOYSA-N
XLogP6.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol;6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol;(1R,9R,12R)-9-methyl-5-pentyl-12-prop-1-en-2-yl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12S)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1R,9R,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol;(1S,9S,12R)-9-methyl-12-prop-1-en-2-yl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol
CID 161251391
4,6-difluoro-3-methyl-7-prop-1-en-2-yldibenzofuran
CID 167121438
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114377113
N-[(3-tert-butyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377127
2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde
CID 54254455
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377137
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone
CID 65428215
N-[(3-ethyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843114
4-propan-2-yl-3-prop-1-en-2-ylbenzonitrile
CID 177368141
ethane;7-methyl-4-propan-2-yl-1-benzofuran
CID 145358952
3-propan-2-yl-4-prop-1-en-2-ylthiophene
CID 71391806
8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 12621940

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran?
The IUPAC name of 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran (CID 100935379) is 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran.
What is the SMILES notation for 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran?
The canonical SMILES for 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran is C=C(C)c1ccc(C)c2oc3c(C)ccc(C(C)C)c3c12.
What is the InChIKey of 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran?
The InChIKey is MGIXTVBBARMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-11(2)15-9-7-13(5)19-17(15)18-16(12(3)4)10-8-14(6)20(18)21-19/h7-10,12H,1H2,2-6H3.
What are the key properties of 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran?
4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran has a molecular weight of 278.40 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-propan-2-yl-9-prop-1-en-2-yldibenzofuran is sourced from PubChem (CID 100935379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).