3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

C20H18BrNO3 — CID 1355541

IUPAC3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCOc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3
InChIInChI=1S/C20H18BrNO3/c1-24-17-9-5-3-7-15(17)22-11-13-19-12-6-2-4-8-16(12)25-18(19)10-14(21)20(13)23/h3,5,7,9-11,23H,2,4,6,8H2,1H3/b22-11+
InChIKeyUQJNDVXCPPAXHL-SSDVNMTOSA-N
MW400.27 g/mol
LogP5.54
Rot. Bonds3

About 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol

3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (PubChem CID 1355541) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.

Molecular Properties

Compound Name3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
PubChem CID1355541
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
SMILESCOc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3
InChIInChI=1S/C20H18BrNO3/c1-24-17-9-5-3-7-15(17)22-11-13-19-12-6-2-4-8-16(12)25-18(19)10-14(21)20(13)23/h3,5,7,9-11,23H,2,4,6,8H2,1H3/b22-11+
InChIKeyUQJNDVXCPPAXHL-SSDVNMTOSA-N
XLogP5.54
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[(2-hydroxyanilino)methylidene]-6,7,8,9-tetrahydrodibenzofuran-2-one
CID 872224
Methyl 2-{[(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylene]amino}benzoate
CID 1203302
3-Bromo-1-(((2-methoxyphenyl)amino)methyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
CID 1906322
1-{[(4-Methoxyphenyl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[B,D]furan-2-OL
CID 705272
1-{[(2-Methoxyphenyl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[B,D]furan-2-OL
CID 705277
2-Dibenzofuranol, 6,7,8,9-tetrahydro-1-[(phenylimino)methyl]-
CID 919763
2-[(1E)-2-(2-methoxybenzo[3,4-b]benzo[d]furan-3-yl)-2-azavinyl]-4-bromophenol
CID 1280943
(E)-3-bromo-1-(((2-hydroxyphenyl)imino)methyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
CID 1365027
1-{[(4-Ethoxyphenyl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[B,D]furan-2-OL
CID 705291
N-(2-{[(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylene]amino}phenyl)-4-methylbenzenesulfonamide
CID 1204107
1-[(2-Hydroxyphenyl)iminomethyl]-3-iodo-6,7,8,9-tetrahydrodibenzofuran-2-ol
CID 1368156
3-Tert-butyl-1-[(2-hydroxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol
CID 1368459

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The IUPAC name of 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol (CID 1355541) is 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol.
What is the SMILES notation for 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The canonical SMILES for 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is COc1ccccc1/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3.
What is the InChIKey of 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
The InChIKey is UQJNDVXCPPAXHL-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-24-17-9-5-3-7-15(17)22-11-13-19-12-6-2-4-8-16(12)25-18(19)10-14(21)20(13)23/h3,5,7,9-11,23H,2,4,6,8H2,1H3/b22-11+.
What are the key properties of 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol?
3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol has a molecular weight of 400.27 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2-methoxyphenyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol is sourced from PubChem (CID 1355541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).