2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one

C12H14O3 — CID 163301307

IUPAC2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESC=C(COC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H14O3/c1-9(8-14-2)12(13)10-4-6-11(15-3)7-5-10/h4-7H,1,8H2,2-3H3
InChIKeyMQRKGDOLYWPNRG-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.08
Rot. Bonds5

About 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one

2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 163301307) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID163301307
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESC=C(COC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H14O3/c1-9(8-14-2)12(13)10-4-6-11(15-3)7-5-10/h4-7H,1,8H2,2-3H3
InChIKeyMQRKGDOLYWPNRG-UHFFFAOYSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
CID 72722749
1-(4-methoxyphenyl)-2-methylbuta-2,3-dien-1-one
CID 101128425
2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
CID 15272504
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 12768666
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 5186455
(E)-2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 6295005

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 163301307) is 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one is C=C(COC)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is MQRKGDOLYWPNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(8-14-2)12(13)10-4-6-11(15-3)7-5-10/h4-7H,1,8H2,2-3H3.
What are the key properties of 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 163301307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).