1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene

C13H18O2 — CID 57090148

IUPAC1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
SMILESC=CC(C)c1ccc(OCCOC)cc1
InChIInChI=1S/C13H18O2/c1-4-11(2)12-5-7-13(8-6-12)15-10-9-14-3/h4-8,11H,1,9-10H2,2-3H3
InChIKeyKJDLWIYYMNXHPK-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds6

About 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene

1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene (PubChem CID 57090148) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
PubChem CID57090148
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
SMILESC=CC(C)c1ccc(OCCOC)cc1
InChIInChI=1S/C13H18O2/c1-4-11(2)12-5-7-13(8-6-12)15-10-9-14-3/h4-8,11H,1,9-10H2,2-3H3
InChIKeyKJDLWIYYMNXHPK-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-en-2-yl-3-(2-methoxyethoxy)benzene
CID 57136010
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanedithiol
CID 59102227
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene
CID 76670582
1-but-3-en-2-yl-4-methylbenzene;ruthenium
CID 175031395
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
CID 134401499
2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 112512422
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene?
The IUPAC name of 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene (CID 57090148) is 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene?
The canonical SMILES for 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene is C=CC(C)c1ccc(OCCOC)cc1.
What is the InChIKey of 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene?
The InChIKey is KJDLWIYYMNXHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-11(2)12-5-7-13(8-6-12)15-10-9-14-3/h4-8,11H,1,9-10H2,2-3H3.
What are the key properties of 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene?
1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene has a molecular weight of 206.28 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene is sourced from PubChem (CID 57090148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).