ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine

C20H27NO3 — CID 174770002

IUPACethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine
SMILESCC.CC1C(c2ccc(OCc3ccccc3)cc2)OCCN1O
InChIInChI=1S/C18H21NO3.C2H6/c1-14-18(21-12-11-19(14)20)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;1-2/h2-10,14,18,20H,11-13H2,1H3;1-2H3
InChIKeyATGTUERADMRPKO-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.44
Rot. Bonds4

About ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine

ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine (PubChem CID 174770002) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine.

Molecular Properties

Compound Nameethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine
PubChem CID174770002
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Nameethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine
SMILESCC.CC1C(c2ccc(OCc3ccccc3)cc2)OCCN1O
InChIInChI=1S/C18H21NO3.C2H6/c1-14-18(21-12-11-19(14)20)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;1-2/h2-10,14,18,20H,11-13H2,1H3;1-2H3
InChIKeyATGTUERADMRPKO-UHFFFAOYSA-N
XLogP4.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine?
The IUPAC name of ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine (CID 174770002) is ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine.
What is the SMILES notation for ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine?
The canonical SMILES for ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine is CC.CC1C(c2ccc(OCc3ccccc3)cc2)OCCN1O.
What is the InChIKey of ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine?
The InChIKey is ATGTUERADMRPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3.C2H6/c1-14-18(21-12-11-19(14)20)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;1-2/h2-10,14,18,20H,11-13H2,1H3;1-2H3.
What are the key properties of ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine?
ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine has a molecular weight of 329.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine is sourced from PubChem (CID 174770002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).