1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane

C24H37NO5 — CID 170603033

IUPAC1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane
SMILESC1COCCN1.CCCOCCC.COc1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O3.C6H14O.C4H9NO/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;1-3-5-7-6-4-2;1-3-6-4-2-5-1/h3-10H,1-2H3;3-6H2,1-2H3;5H,1-4H2
InChIKeyLUJOEKRLRHAVDY-UHFFFAOYSA-N
MW419.56 g/mol
LogP4.93
Rot. Bonds8

About 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane

1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane (PubChem CID 170603033) has the molecular formula C24H37NO5 and a molecular weight of 419.56 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane
PubChem CID170603033
Molecular FormulaC24H37NO5
Molecular Weight419.56 g/mol
Exact Mass419.27
IUPAC Name1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane
SMILESC1COCCN1.CCCOCCC.COc1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O3.C6H14O.C4H9NO/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;1-3-5-7-6-4-2;1-3-6-4-2-5-1/h3-10H,1-2H3;3-6H2,1-2H3;5H,1-4H2
InChIKeyLUJOEKRLRHAVDY-UHFFFAOYSA-N
XLogP4.93
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane?
The IUPAC name of 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane (CID 170603033) is 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane.
What is the SMILES notation for 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane?
The canonical SMILES for 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane is C1COCCN1.CCCOCCC.COc1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane?
The InChIKey is LUJOEKRLRHAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3.C6H14O.C4H9NO/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;1-3-5-7-6-4-2;1-3-6-4-2-5-1/h3-10H,1-2H3;3-6H2,1-2H3;5H,1-4H2.
What are the key properties of 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane?
1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane has a molecular weight of 419.56 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxyphenoxy)benzene;morpholine;1-propoxypropane is sourced from PubChem (CID 170603033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).