2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone

C15H20ClNO5 — CID 97179268

IUPAC2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCCOc1cc(CO)cc(Cl)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H20ClNO5/c1-2-21-13-8-11(9-18)7-12(16)15(13)22-10-14(19)17-3-5-20-6-4-17/h7-8,18H,2-6,9-10H2,1H3
InChIKeyPNDNJKXMPOKEFK-UHFFFAOYSA-N
MW329.78 g/mol
LogP1.47
Rot. Bonds6

About 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone

2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 97179268) has the molecular formula C15H20ClNO5 and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID97179268
Molecular FormulaC15H20ClNO5
Molecular Weight329.78 g/mol
Exact Mass329.10
IUPAC Name2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCCOc1cc(CO)cc(Cl)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H20ClNO5/c1-2-21-13-8-11(9-18)7-12(16)15(13)22-10-14(19)17-3-5-20-6-4-17/h7-8,18H,2-6,9-10H2,1H3
InChIKeyPNDNJKXMPOKEFK-UHFFFAOYSA-N
XLogP1.47
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179321
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83952625
propan-2-yl 2-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetate
CID 171349786
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
cyanomethyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7969980
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione
CID 4650978
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
N-[(2,4-dichlorophenyl)methyl]-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 17436689

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone (CID 97179268) is 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone is CCOc1cc(CO)cc(Cl)c1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is PNDNJKXMPOKEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO5/c1-2-21-13-8-11(9-18)7-12(16)15(13)22-10-14(19)17-3-5-20-6-4-17/h7-8,18H,2-6,9-10H2,1H3.
What are the key properties of 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone?
2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 329.78 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97179268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).