2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one

C11H12O3 — CID 134874113

IUPAC2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one
SMILESCOc1cccc(COC(C)=C=O)c1
InChIInChI=1S/C11H12O3/c1-9(7-12)14-8-10-4-3-5-11(6-10)13-2/h3-6H,8H2,1-2H3
InChIKeyVVANULXKDLUFII-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.95
Rot. Bonds4

About 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one

2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one (PubChem CID 134874113) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one
PubChem CID134874113
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one
SMILESCOc1cccc(COC(C)=C=O)c1
InChIInChI=1S/C11H12O3/c1-9(7-12)14-8-10-4-3-5-11(6-10)13-2/h3-6H,8H2,1-2H3
InChIKeyVVANULXKDLUFII-UHFFFAOYSA-N
XLogP1.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)methyl (Z)-2-methylbut-2-enoate
CID 91698333
(3-methoxyphenyl)methyl but-2-enoate
CID 75850831
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone
CID 134874110
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
(3-methoxyphenyl)methyl 3-phenyl-2-sulfanylpropanoate
CID 107018262
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
(3-methoxyphenyl)methyl pentanoate
CID 78789338
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one (CID 134874113) is 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one is COc1cccc(COC(C)=C=O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one?
The InChIKey is VVANULXKDLUFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-9(7-12)14-8-10-4-3-5-11(6-10)13-2/h3-6H,8H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one?
2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one has a molecular weight of 192.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one is sourced from PubChem (CID 134874113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).