[2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate

C15H20O3 — CID 151537685

IUPAC[2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate
SMILESCC/C=C\COc1cccc(COC(C)=O)c1C
InChIInChI=1S/C15H20O3/c1-4-5-6-10-17-15-9-7-8-14(12(15)2)11-18-13(3)16/h5-9H,4,10-11H2,1-3H3/b6-5-
InChIKeyPXUQGLKKDXARCA-WAYWQWQTSA-N
MW248.32 g/mol
LogP3.40
Rot. Bonds6

About [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate

[2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate (PubChem CID 151537685) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate.

Molecular Properties

Compound Name[2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate
PubChem CID151537685
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate
SMILESCC/C=C\COc1cccc(COC(C)=O)c1C
InChIInChI=1S/C15H20O3/c1-4-5-6-10-17-15-9-7-8-14(12(15)2)11-18-13(3)16/h5-9H,4,10-11H2,1-3H3/b6-5-
InChIKeyPXUQGLKKDXARCA-WAYWQWQTSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-3-pent-2-enoxyphenyl)methanol
CID 175150852
calcium bis(2-methyl-3-[(Z)-pent-2-enoxy]benzoate)
CID 156777469
(2-acetyloxyphenyl)methyl acetate
CID 10889107
2-[[2-[(E)-4-[2-[(2-carbamoylphenoxy)methyl]phenoxy]but-2-enoxy]phenyl]methoxy]benzamide
CID 134973783
ethane;(2-methylphenyl)methyl acetate
CID 143177732
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
1-chloro-3-(3-ethoxy-2-methylphenyl)propan-2-one
CID 134616941
(2-propylphenyl)methyl acetate
CID 18363688
[(E)-4-(2-propylphenoxy)but-2-enyl] 3-oxobutanoate
CID 174735694
[2-(acetyloxymethyl)phenyl] 2-methylpropanoate
CID 170949242
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate?
The IUPAC name of [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate (CID 151537685) is [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate.
What is the SMILES notation for [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate?
The canonical SMILES for [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate is CC/C=C\COc1cccc(COC(C)=O)c1C.
What is the InChIKey of [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate?
The InChIKey is PXUQGLKKDXARCA-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-5-6-10-17-15-9-7-8-14(12(15)2)11-18-13(3)16/h5-9H,4,10-11H2,1-3H3/b6-5-.
What are the key properties of [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate?
[2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate has a molecular weight of 248.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate is sourced from PubChem (CID 151537685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).