1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol

C16H24ClNO3 — CID 110882740

IUPAC1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)COC(C)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H24ClNO3/c1-12-9-18(7-8-20-12)10-16(19)11-21-13(2)14-3-5-15(17)6-4-14/h3-6,12-13,16,19H,7-11H2,1-2H3
InChIKeyCKBZGYBLDNGVPW-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.50
Rot. Bonds6

About 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol

1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol (PubChem CID 110882740) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol
PubChem CID110882740
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)COC(C)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H24ClNO3/c1-12-9-18(7-8-20-12)10-16(19)11-21-13(2)14-3-5-15(17)6-4-14/h3-6,12-13,16,19H,7-11H2,1-2H3
InChIKeyCKBZGYBLDNGVPW-UHFFFAOYSA-N
XLogP2.50
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
CID 4801613
1-[1-(4-chlorophenyl)ethoxy]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110891581
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 26917919
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride
CID 138960683
1-(2-aminophenoxy)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43364486
1-(2-methylmorpholin-4-yl)butan-2-ol
CID 60886313
1-(2-methylmorpholin-4-yl)propan-2-ol
CID 60886312
1-[1-(4-chlorophenyl)ethoxy]-3-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]propan-2-ol
CID 166183844
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 7746000
(2S)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 7872753
3-[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31569790
(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
CID 95332227

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol (CID 110882740) is 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)COC(C)c2ccc(Cl)cc2)CCO1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol?
The InChIKey is CKBZGYBLDNGVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-12-9-18(7-8-20-12)10-16(19)11-21-13(2)14-3-5-15(17)6-4-14/h3-6,12-13,16,19H,7-11H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol?
1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol has a molecular weight of 313.82 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 110882740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).