[3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol

C20H21ClFNO3 — CID 176961224

IUPAC[3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol
SMILESC=C1COC(CO)C(c2cccc(F)c2Cl)N1Cc1ccc(OC)cc1
InChIInChI=1S/C20H21ClFNO3/c1-13-12-26-18(11-24)20(16-4-3-5-17(22)19(16)21)23(13)10-14-6-8-15(25-2)9-7-14/h3-9,18,20,24H,1,10-12H2,2H3
InChIKeyCXPIHLWHYKGFRQ-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.94
Rot. Bonds5

About [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol

[3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol (PubChem CID 176961224) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol.

Molecular Properties

Compound Name[3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol
PubChem CID176961224
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name[3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol
SMILESC=C1COC(CO)C(c2cccc(F)c2Cl)N1Cc1ccc(OC)cc1
InChIInChI=1S/C20H21ClFNO3/c1-13-12-26-18(11-24)20(16-4-3-5-17(22)19(16)21)23(13)10-14-6-8-15(25-2)9-7-14/h3-9,18,20,24H,1,10-12H2,2H3
InChIKeyCXPIHLWHYKGFRQ-UHFFFAOYSA-N
XLogP3.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-2-methylmorpholine
CID 176961192
methyl 3-(2-chloro-3-methylphenyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholine-2-carboxylate
CID 176961228
3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 50743717
(2R)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94071792
4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092
(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 92595912
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
1-[(2S,3R)-3-amino-2-(2-fluorophenyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92595508
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134712032
[(2S,3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol
CID 134709535
4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 68764179
(2S)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 51982049

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol?
The IUPAC name of [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol (CID 176961224) is [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol.
What is the SMILES notation for [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol?
The canonical SMILES for [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol is C=C1COC(CO)C(c2cccc(F)c2Cl)N1Cc1ccc(OC)cc1.
What is the InChIKey of [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol?
The InChIKey is CXPIHLWHYKGFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-13-12-26-18(11-24)20(16-4-3-5-17(22)19(16)21)23(13)10-14-6-8-15(25-2)9-7-14/h3-9,18,20,24H,1,10-12H2,2H3.
What are the key properties of [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol?
[3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol has a molecular weight of 377.84 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-methylidenemorpholin-2-yl]methanol is sourced from PubChem (CID 176961224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).