1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone

C15H20ClNO3 — CID 82053093

IUPAC1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone
SMILESCCOc1cc(C)c(Cl)cc1C(=O)CN1CCOCC1
InChIInChI=1S/C15H20ClNO3/c1-3-20-15-8-11(2)13(16)9-12(15)14(18)10-17-4-6-19-7-5-17/h8-9H,3-7,10H2,1-2H3
InChIKeyDRVJRSLMTQKSSV-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.56
Rot. Bonds5

About 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone

1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone (PubChem CID 82053093) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone
PubChem CID82053093
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone
SMILESCCOc1cc(C)c(Cl)cc1C(=O)CN1CCOCC1
InChIInChI=1S/C15H20ClNO3/c1-3-20-15-8-11(2)13(16)9-12(15)14(18)10-17-4-6-19-7-5-17/h8-9H,3-7,10H2,1-2H3
InChIKeyDRVJRSLMTQKSSV-UHFFFAOYSA-N
XLogP2.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
CID 43219459
methyl 4-(5-chloro-2-ethoxy-4-methylphenyl)-4-oxobutanoate
CID 82553262
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
2-chloro-1-(4,5-dichloro-2-ethoxyphenyl)ethanone
CID 82553894
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 93193762
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
CID 82053867

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone (CID 82053093) is 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone is CCOc1cc(C)c(Cl)cc1C(=O)CN1CCOCC1.
What is the InChIKey of 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone?
The InChIKey is DRVJRSLMTQKSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-3-20-15-8-11(2)13(16)9-12(15)14(18)10-17-4-6-19-7-5-17/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone?
1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone has a molecular weight of 297.78 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 82053093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).