methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate

C17H22O4 — CID 103272655

IUPACmethyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate
SMILESC/C=C/c1ccc(OC2(CC(=O)OC)CCC2)c(OC)c1
InChIInChI=1S/C17H22O4/c1-4-6-13-7-8-14(15(11-13)19-2)21-17(9-5-10-17)12-16(18)20-3/h4,6-8,11H,5,9-10,12H2,1-3H3/b6-4+
InChIKeyBOERDVGKABPBOI-GQCTYLIASA-N
MW290.36 g/mol
LogP3.59
Rot. Bonds6

About methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate

methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate (PubChem CID 103272655) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate
PubChem CID103272655
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Namemethyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate
SMILESC/C=C/c1ccc(OC2(CC(=O)OC)CCC2)c(OC)c1
InChIInChI=1S/C17H22O4/c1-4-6-13-7-8-14(15(11-13)19-2)21-17(9-5-10-17)12-16(18)20-3/h4,6-8,11H,5,9-10,12H2,1-3H3/b6-4+
InChIKeyBOERDVGKABPBOI-GQCTYLIASA-N
XLogP3.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
CID 103272609
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8763804
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 18284889
N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
1-[[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]methyl]cyclobutane-1-carboxylic acid
CID 91338465
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate (CID 103272655) is methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate is C/C=C/c1ccc(OC2(CC(=O)OC)CCC2)c(OC)c1.
What is the InChIKey of methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate?
The InChIKey is BOERDVGKABPBOI-GQCTYLIASA-N. The full InChI is InChI=1S/C17H22O4/c1-4-6-13-7-8-14(15(11-13)19-2)21-17(9-5-10-17)12-16(18)20-3/h4,6-8,11H,5,9-10,12H2,1-3H3/b6-4+.
What are the key properties of methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate?
methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate has a molecular weight of 290.36 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]cyclobutyl]acetate is sourced from PubChem (CID 103272655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).