1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene

C13H18O2 — CID 139799938

IUPAC1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OCCCOC)cc1
InChIInChI=1S/C13H18O2/c1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3/h5-8H,1,4,9-10H2,2-3H3
InChIKeyHYCZBRJYCIWPDC-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.13
Rot. Bonds6

About 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene

1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene (PubChem CID 139799938) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
PubChem CID139799938
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OCCCOC)cc1
InChIInChI=1S/C13H18O2/c1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3/h5-8H,1,4,9-10H2,2-3H3
InChIKeyHYCZBRJYCIWPDC-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate
CID 19792877
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene
CID 58185940
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine
CID 23150286

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene (CID 139799938) is 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OCCCOC)cc1.
What is the InChIKey of 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene?
The InChIKey is HYCZBRJYCIWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3/h5-8H,1,4,9-10H2,2-3H3.
What are the key properties of 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene?
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene has a molecular weight of 206.28 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 139799938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).