2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene

C13H18O2 — CID 57350376

IUPAC2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C13H18O2/c1-5-6-11-7-8-12(15-10(2)3)13(9-11)14-4/h5,7-10H,1,6H2,2-4H3
InChIKeyDZNZJOUTMIJWRW-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds5

About 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene

2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene (PubChem CID 57350376) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
PubChem CID57350376
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C13H18O2/c1-5-6-11-7-8-12(15-10(2)3)13(9-11)14-4/h5,7-10H,1,6H2,2-4H3
InChIKeyDZNZJOUTMIJWRW-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
1-(2-methoxy-4-prop-2-enylphenoxy)-1-(propan-2-ylamino)propan-2-ol
CID 146423827
2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
CID 146301981
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
(2-methoxy-4-prop-2-enylphenyl) (2R)-2-methylbutanoate
CID 93483199

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene?
The IUPAC name of 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene (CID 57350376) is 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene.
What is the SMILES notation for 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene?
The canonical SMILES for 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene is C=CCc1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene?
The InChIKey is DZNZJOUTMIJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-6-11-7-8-12(15-10(2)3)13(9-11)14-4/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene?
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene has a molecular weight of 206.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene is sourced from PubChem (CID 57350376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).