2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid

C18H23Cl2NO4 — CID 19042799

IUPAC2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid
SMILESO=C(O)C(Oc1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCOCC1
InChIInChI=1S/C18H23Cl2NO4/c19-14-6-5-12(11-15(14)20)25-17(18(22)23)13-3-1-2-4-16(13)21-7-9-24-10-8-21/h5-6,11,13,16-17H,1-4,7-10H2,(H,22,23)
InChIKeyHDRRYOIKAVDKNB-UHFFFAOYSA-N
MW388.29 g/mol
LogP3.72
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid

2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid (PubChem CID 19042799) has the molecular formula C18H23Cl2NO4 and a molecular weight of 388.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid
PubChem CID19042799
Molecular FormulaC18H23Cl2NO4
Molecular Weight388.29 g/mol
Exact Mass387.10
IUPAC Name2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid
SMILESO=C(O)C(Oc1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCOCC1
InChIInChI=1S/C18H23Cl2NO4/c19-14-6-5-12(11-15(14)20)25-17(18(22)23)13-3-1-2-4-16(13)21-7-9-24-10-8-21/h5-6,11,13,16-17H,1-4,7-10H2,(H,22,23)
InChIKeyHDRRYOIKAVDKNB-UHFFFAOYSA-N
XLogP3.72
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid (CID 19042799) is 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid is O=C(O)C(Oc1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCOCC1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid?
The InChIKey is HDRRYOIKAVDKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO4/c19-14-6-5-12(11-15(14)20)25-17(18(22)23)13-3-1-2-4-16(13)21-7-9-24-10-8-21/h5-6,11,13,16-17H,1-4,7-10H2,(H,22,23).
What are the key properties of 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid?
2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid has a molecular weight of 388.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-2-(2-morpholin-4-ylcyclohexyl)acetic acid is sourced from PubChem (CID 19042799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).