6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol

C15H17BrNO2+ — CID 2480255

IUPAC6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1C[NH+]1CCOCC1
InChIInChI=1S/C15H16BrNO2/c16-12-2-3-13-11(9-12)1-4-15(18)14(13)10-17-5-7-19-8-6-17/h1-4,9,18H,5-8,10H2/p+1
InChIKeyNNWSWCYZKPSEBI-UHFFFAOYSA-O
MW323.21 g/mol
LogP1.72
Rot. Bonds2

About 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol

6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol (PubChem CID 2480255) has the molecular formula C15H17BrNO2+ and a molecular weight of 323.21 g/mol. Its IUPAC name is 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
PubChem CID2480255
Molecular FormulaC15H17BrNO2+
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1C[NH+]1CCOCC1
InChIInChI=1S/C15H16BrNO2/c16-12-2-3-13-11(9-12)1-4-15(18)14(13)10-17-5-7-19-8-6-17/h1-4,9,18H,5-8,10H2/p+1
InChIKeyNNWSWCYZKPSEBI-UHFFFAOYSA-O
XLogP1.72
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
CID 6927732
1-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7999606
6-bromo-1-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol
CID 9280219
1-[4-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone
CID 2470381
3-(6-bromo-2-hydroxynaphthalen-1-yl)propanal
CID 117447356
6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
CID 117473030
ethyl (3S)-1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperidin-1-ium-3-carboxylate
CID 2453069
1-benzyl-6-bromonaphthalen-2-ol
CID 132564991
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]-1-morpholin-4-ylethanone
CID 8892920
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one
CID 2028356
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
7-hydroxy-3-(4-methoxyphenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one
CID 7204998

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol?
The IUPAC name of 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol (CID 2480255) is 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1C[NH+]1CCOCC1.
What is the InChIKey of 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol?
The InChIKey is NNWSWCYZKPSEBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16BrNO2/c16-12-2-3-13-11(9-12)1-4-15(18)14(13)10-17-5-7-19-8-6-17/h1-4,9,18H,5-8,10H2/p+1.
What are the key properties of 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol?
6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol has a molecular weight of 323.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol is sourced from PubChem (CID 2480255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).