(2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone

C23H26ClNO3 — CID 46100086

IUPAC(2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone
SMILESCc1cccc(Cl)c1C(=O)N1CCOC(COc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C23H26ClNO3/c1-16-5-4-8-21(24)22(16)23(26)25-11-12-27-20(14-25)15-28-19-10-9-17-6-2-3-7-18(17)13-19/h4-5,8-10,13,20H,2-3,6-7,11-12,14-15H2,1H3
InChIKeyRXSJZKLDHKHZKZ-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.45
Rot. Bonds4

About (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone

(2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone (PubChem CID 46100086) has the molecular formula C23H26ClNO3 and a molecular weight of 399.92 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone
PubChem CID46100086
Molecular FormulaC23H26ClNO3
Molecular Weight399.92 g/mol
Exact Mass399.16
IUPAC Name(2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone
SMILESCc1cccc(Cl)c1C(=O)N1CCOC(COc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C23H26ClNO3/c1-16-5-4-8-21(24)22(16)23(26)25-11-12-27-20(14-25)15-28-19-10-9-17-6-2-3-7-18(17)13-19/h4-5,8-10,13,20H,2-3,6-7,11-12,14-15H2,1H3
InChIKeyRXSJZKLDHKHZKZ-UHFFFAOYSA-N
XLogP4.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
benzyl N-[4-oxo-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]butyl]carbamate
CID 46100191
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
1-[4-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3807377
(2S)-1-[(2R)-2-[(4-chloro-3-methylphenoxy)methyl]morpholin-4-yl]-2-(2-chlorophenoxy)propan-1-one
CID 92759978
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92760487
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758
(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100358

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone (CID 46100086) is (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone is Cc1cccc(Cl)c1C(=O)N1CCOC(COc2ccc3c(c2)CCCC3)C1.
What is the InChIKey of (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone?
The InChIKey is RXSJZKLDHKHZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO3/c1-16-5-4-8-21(24)22(16)23(26)25-11-12-27-20(14-25)15-28-19-10-9-17-6-2-3-7-18(17)13-19/h4-5,8-10,13,20H,2-3,6-7,11-12,14-15H2,1H3.
What are the key properties of (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone?
(2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone has a molecular weight of 399.92 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 46100086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).