2-(2-chloro-4,5-dimethoxyphenyl)morpholine

C12H16ClNO3 — CID 117397861

IUPAC2-(2-chloro-4,5-dimethoxyphenyl)morpholine
SMILESCOc1cc(Cl)c(C2CNCCO2)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-15-10-5-8(9(13)6-11(10)16-2)12-7-14-3-4-17-12/h5-6,12,14H,3-4,7H2,1-2H3
InChIKeyDSLHDRRFGSSWFA-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-chloro-4,5-dimethoxyphenyl)morpholine

2-(2-chloro-4,5-dimethoxyphenyl)morpholine (PubChem CID 117397861) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(2-chloro-4,5-dimethoxyphenyl)morpholine.

Molecular Properties

Compound Name2-(2-chloro-4,5-dimethoxyphenyl)morpholine
PubChem CID117397861
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(2-chloro-4,5-dimethoxyphenyl)morpholine
SMILESCOc1cc(Cl)c(C2CNCCO2)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-15-10-5-8(9(13)6-11(10)16-2)12-7-14-3-4-17-12/h5-6,12,14H,3-4,7H2,1-2H3
InChIKeyDSLHDRRFGSSWFA-UHFFFAOYSA-N
XLogP2.02
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine
CID 117435420
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine
CID 117426455
2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine
CID 117482760
5-(2,5-dichloro-4-methoxyphenyl)-1,3-oxazolidine
CID 82480089
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117392151
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(7-chloro-3-methoxynaphthalen-2-yl)morpholine
CID 117445267

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,5-dimethoxyphenyl)morpholine?
The IUPAC name of 2-(2-chloro-4,5-dimethoxyphenyl)morpholine (CID 117397861) is 2-(2-chloro-4,5-dimethoxyphenyl)morpholine.
What is the SMILES notation for 2-(2-chloro-4,5-dimethoxyphenyl)morpholine?
The canonical SMILES for 2-(2-chloro-4,5-dimethoxyphenyl)morpholine is COc1cc(Cl)c(C2CNCCO2)cc1OC.
What is the InChIKey of 2-(2-chloro-4,5-dimethoxyphenyl)morpholine?
The InChIKey is DSLHDRRFGSSWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-15-10-5-8(9(13)6-11(10)16-2)12-7-14-3-4-17-12/h5-6,12,14H,3-4,7H2,1-2H3.
What are the key properties of 2-(2-chloro-4,5-dimethoxyphenyl)morpholine?
2-(2-chloro-4,5-dimethoxyphenyl)morpholine has a molecular weight of 257.72 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,5-dimethoxyphenyl)morpholine is sourced from PubChem (CID 117397861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).