2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal

C23H27FO4 — CID 144983586

IUPAC2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal
SMILESC=C(C)C=O.C=CC=O.COCCc1ccc(-c2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H17FO2.C4H6O.C3H4O/c1-18-10-9-12-3-5-13(6-4-12)15-8-7-14(19-2)11-16(15)17;1-4(2)3-5;1-2-3-4/h3-8,11H,9-10H2,1-2H3;3H,1H2,2H3;2-3H,1H2
InChIKeyAMAIZNPCTDBJQO-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.82
Rot. Bonds7

About 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal

2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal (PubChem CID 144983586) has the molecular formula C23H27FO4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal.

Molecular Properties

Compound Name2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal
PubChem CID144983586
Molecular FormulaC23H27FO4
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal
SMILESC=C(C)C=O.C=CC=O.COCCc1ccc(-c2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H17FO2.C4H6O.C3H4O/c1-18-10-9-12-3-5-13(6-4-12)15-8-7-14(19-2)11-16(15)17;1-4(2)3-5;1-2-3-4/h3-8,11H,9-10H2,1-2H3;3H,1H2,2H3;2-3H,1H2
InChIKeyAMAIZNPCTDBJQO-UHFFFAOYSA-N
XLogP4.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal 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

1-[4-(2-fluoro-4-methoxyphenyl)phenyl]propan-2-one
CID 82541027
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
6-[4-[2-fluoro-4-[(E)-3-oxoprop-1-enyl]phenyl]phenoxy]hexyl prop-2-enoate;2-methoxyethyl 4-(4-methoxyphenyl)benzoate;prop-2-enal
CID 145097161
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
[3-fluoro-4-[4-[2-(1-hydroxy-2-methylpropoxy)ethyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 144983574
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
bis(1-methoxy-4-methylbenzene);2-methylbuta-1,3-diene;prop-2-enal
CID 172594922
[2-[[2-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypropyl] 2-methylprop-2-enoate
CID 138567359
[3-fluoro-4-[4-[5-hydroxy-4-(hydroxymethyl)pentyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118699959
N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine
CID 66828995

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal?
The IUPAC name of 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal (CID 144983586) is 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal.
What is the SMILES notation for 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal?
The canonical SMILES for 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal is C=C(C)C=O.C=CC=O.COCCc1ccc(-c2ccc(OC)cc2F)cc1.
What is the InChIKey of 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal?
The InChIKey is AMAIZNPCTDBJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2.C4H6O.C3H4O/c1-18-10-9-12-3-5-13(6-4-12)15-8-7-14(19-2)11-16(15)17;1-4(2)3-5;1-2-3-4/h3-8,11H,9-10H2,1-2H3;3H,1H2,2H3;2-3H,1H2.
What are the key properties of 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal?
2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal has a molecular weight of 386.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-1-[4-(2-methoxyethyl)phenyl]benzene;2-methylprop-2-enal;prop-2-enal is sourced from PubChem (CID 144983586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).