3,4-dichloro-2-(morpholin-4-ylmethyl)phenol

C11H13Cl2NO2 — CID 12823160

IUPAC3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
SMILESOc1ccc(Cl)c(Cl)c1CN1CCOCC1
InChIInChI=1S/C11H13Cl2NO2/c12-9-1-2-10(15)8(11(9)13)7-14-3-5-16-6-4-14/h1-2,15H,3-7H2
InChIKeyAFUVOFWGZPHNPC-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.53
Rot. Bonds2

About 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol

3,4-dichloro-2-(morpholin-4-ylmethyl)phenol (PubChem CID 12823160) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
PubChem CID12823160
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
SMILESOc1ccc(Cl)c(Cl)c1CN1CCOCC1
InChIInChI=1S/C11H13Cl2NO2/c12-9-1-2-10(15)8(11(9)13)7-14-3-5-16-6-4-14/h1-2,15H,3-7H2
InChIKeyAFUVOFWGZPHNPC-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
3-amino-2-(morpholin-4-ylmethyl)phenol;azane
CID 69382401
2,4-difluoro-3-(morpholin-4-ylmethyl)phenol
CID 126778749
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
CID 5392010
1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
CID 53314502
7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
CID 21159653
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one
CID 1426444
3-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 63745239
1-[(2,3,6-trichlorophenyl)methyl]piperidine-4-carboxylic acid
CID 82183313
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol?
The IUPAC name of 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol (CID 12823160) is 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol.
What is the SMILES notation for 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol?
The canonical SMILES for 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol is Oc1ccc(Cl)c(Cl)c1CN1CCOCC1.
What is the InChIKey of 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol?
The InChIKey is AFUVOFWGZPHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-9-1-2-10(15)8(11(9)13)7-14-3-5-16-6-4-14/h1-2,15H,3-7H2.
What are the key properties of 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol?
3,4-dichloro-2-(morpholin-4-ylmethyl)phenol has a molecular weight of 262.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(morpholin-4-ylmethyl)phenol is sourced from PubChem (CID 12823160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).