5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol

C29H36FNO4 — CID 142952767

IUPAC5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol
SMILESCC1CCCN1CCOc1ccccc1.CC1CCOc2ccc(O)c(F)c21.Oc1ccccc1
InChIInChI=1S/C13H19NO.C10H11FO2.C6H6O/c1-12-6-5-9-14(12)10-11-15-13-7-3-2-4-8-13;1-6-4-5-13-8-3-2-7(12)10(11)9(6)8;7-6-4-2-1-3-5-6/h2-4,7-8,12H,5-6,9-11H2,1H3;2-3,6,12H,4-5H2,1H3;1-5,7H
InChIKeyBMWGLOWELPNFSL-UHFFFAOYSA-N
MW481.61 g/mol
LogP6.36
Rot. Bonds4

About 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol

5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol (PubChem CID 142952767) has the molecular formula C29H36FNO4 and a molecular weight of 481.61 g/mol. Its IUPAC name is 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol.

Molecular Properties

Compound Name5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol
PubChem CID142952767
Molecular FormulaC29H36FNO4
Molecular Weight481.61 g/mol
Exact Mass481.26
IUPAC Name5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol
SMILESCC1CCCN1CCOc1ccccc1.CC1CCOc2ccc(O)c(F)c21.Oc1ccccc1
InChIInChI=1S/C13H19NO.C10H11FO2.C6H6O/c1-12-6-5-9-14(12)10-11-15-13-7-3-2-4-8-13;1-6-4-5-13-8-3-2-7(12)10(11)9(6)8;7-6-4-2-1-3-5-6/h2-4,7-8,12H,5-6,9-11H2,1H3;2-3,6,12H,4-5H2,1H3;1-5,7H
InChIKeyBMWGLOWELPNFSL-UHFFFAOYSA-N
XLogP6.36
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.61
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol 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

2,3-dihydro-1,4-benzoxathiin-6-ol;ethane;3-methylphenol;(2R)-2-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 142818581
(4S)-4-methyl-3,4-dihydro-2H-chromen-7-ol;phenol;1-(2-phenoxyethyl)piperidine
CID 142952789
ethane;(2S)-2-[4-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol;phenol
CID 142819090
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
(2S,3R)-3-(3-hydroxyphenyl)-2-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 10139666
(2S,3R)-3-(3-hydroxyphenyl)-2-[4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 10183234
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate;hydrochloride
CID 138401109
(2R,3R,4S)-2-[4-[2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]ethoxy]phenyl]-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydro-2H-chromen-6-ol
CID 142952761

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol?
The IUPAC name of 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol (CID 142952767) is 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol.
What is the SMILES notation for 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol?
The canonical SMILES for 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol is CC1CCCN1CCOc1ccccc1.CC1CCOc2ccc(O)c(F)c21.Oc1ccccc1.
What is the InChIKey of 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol?
The InChIKey is BMWGLOWELPNFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C10H11FO2.C6H6O/c1-12-6-5-9-14(12)10-11-15-13-7-3-2-4-8-13;1-6-4-5-13-8-3-2-7(12)10(11)9(6)8;7-6-4-2-1-3-5-6/h2-4,7-8,12H,5-6,9-11H2,1H3;2-3,6,12H,4-5H2,1H3;1-5,7H.
What are the key properties of 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol?
5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol has a molecular weight of 481.61 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;2-methyl-1-(2-phenoxyethyl)pyrrolidine;phenol is sourced from PubChem (CID 142952767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).