6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one

C25H32ClNO4 — CID 69091776

IUPAC6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one
SMILESCCc1cccc(-c2c(Cl)cccc2C(CCCC(O)C(=O)N2CCOCC2)OC)c1
InChIInChI=1S/C25H32ClNO4/c1-3-18-7-4-8-19(17-18)24-20(9-5-10-21(24)26)23(30-2)12-6-11-22(28)25(29)27-13-15-31-16-14-27/h4-5,7-10,17,22-23,28H,3,6,11-16H2,1-2H3
InChIKeyRLVMTNXRBJDREO-UHFFFAOYSA-N
MW445.99 g/mol
LogP4.65
Rot. Bonds9

About 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one

6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one (PubChem CID 69091776) has the molecular formula C25H32ClNO4 and a molecular weight of 445.99 g/mol. Its IUPAC name is 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one
PubChem CID69091776
Molecular FormulaC25H32ClNO4
Molecular Weight445.99 g/mol
Exact Mass445.20
IUPAC Name6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one
SMILESCCc1cccc(-c2c(Cl)cccc2C(CCCC(O)C(=O)N2CCOCC2)OC)c1
InChIInChI=1S/C25H32ClNO4/c1-3-18-7-4-8-19(17-18)24-20(9-5-10-21(24)26)23(30-2)12-6-11-22(28)25(29)27-13-15-31-16-14-27/h4-5,7-10,17,22-23,28H,3,6,11-16H2,1-2H3
InChIKeyRLVMTNXRBJDREO-UHFFFAOYSA-N
XLogP4.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
(3-aminocyclopentyl)-[2-[5-(3-chloro-2-quinolin-3-ylphenyl)-1-hydroxy-5-methoxypentyl]morpholin-4-yl]methanone
CID 69173137
2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
CID 62224102
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
tert-butyl (2R)-2-[1-[3-chloro-2-(3-ethylphenyl)phenyl]-1-hydroxypent-4-enyl]morpholine-4-carboxylate
CID 163788140
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 62226501
1-[(3-chlorophenyl)methyl]-3-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]urea
CID 110305706
methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
CID 69434740
[3-(aminomethyl)phenyl]-[(7R,8R)-3-chloro-2-(3-ethylphenyl)-8-hydroxy-8-(4-methoxybutyl)spiro[bicyclo[4.2.0]octa-1(6),2,4-triene-7,2'-morpholine]-4'-yl]methanone
CID 143557987
(3R)-3-[4-acetamido-1-[3-chloro-2-(3-ethylphenyl)phenyl]-1-hydroxybutyl]piperidine-1-carboxylic acid
CID 68515441

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one (CID 69091776) is 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one is CCc1cccc(-c2c(Cl)cccc2C(CCCC(O)C(=O)N2CCOCC2)OC)c1.
What is the InChIKey of 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one?
The InChIKey is RLVMTNXRBJDREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClNO4/c1-3-18-7-4-8-19(17-18)24-20(9-5-10-21(24)26)23(30-2)12-6-11-22(28)25(29)27-13-15-31-16-14-27/h4-5,7-10,17,22-23,28H,3,6,11-16H2,1-2H3.
What are the key properties of 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one?
6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one has a molecular weight of 445.99 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-2-(3-ethylphenyl)phenyl]-2-hydroxy-6-methoxy-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 69091776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).