2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine

C18H20ClNO3 — CID 11638552

IUPAC2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
SMILESCOc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
InChIKeyPVISFTMIHRDVDS-UHFFFAOYSA-N
MW333.81 g/mol
LogP3.46
Rot. Bonds5

About 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine

2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine (PubChem CID 11638552) has the molecular formula C18H20ClNO3 and a molecular weight of 333.81 g/mol. Its IUPAC name is 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
PubChem CID11638552
Molecular FormulaC18H20ClNO3
Molecular Weight333.81 g/mol
Exact Mass333.11
IUPAC Name2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
SMILESCOc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
InChIKeyPVISFTMIHRDVDS-UHFFFAOYSA-N
XLogP3.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The IUPAC name of 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine (CID 11638552) is 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine is COc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The InChIKey is PVISFTMIHRDVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3.
What are the key properties of 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine has a molecular weight of 333.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 11638552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).