1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

C20H29NO4 — CID 19867028

IUPAC1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(OC2CCCCC2O)cc1)N1CCOCC1
InChIInChI=1S/C20H29NO4/c1-20(2,21-11-13-24-14-12-21)19(23)15-7-9-16(10-8-15)25-18-6-4-3-5-17(18)22/h7-10,17-18,22H,3-6,11-14H2,1-2H3
InChIKeySMSPPJJBVUQHDE-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.66
Rot. Bonds5

About 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 19867028) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID19867028
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(OC2CCCCC2O)cc1)N1CCOCC1
InChIInChI=1S/C20H29NO4/c1-20(2,21-11-13-24-14-12-21)19(23)15-7-9-16(10-8-15)25-18-6-4-3-5-17(18)22/h7-10,17-18,22H,3-6,11-14H2,1-2H3
InChIKeySMSPPJJBVUQHDE-UHFFFAOYSA-N
XLogP2.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 19867028) is 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc(OC2CCCCC2O)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is SMSPPJJBVUQHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-20(2,21-11-13-24-14-12-21)19(23)15-7-9-16(10-8-15)25-18-6-4-3-5-17(18)22/h7-10,17-18,22H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 347.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 19867028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).