2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol

C28H20N2O3 — CID 139759541

IUPAC2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol
SMILESOc1ccccc1C=Nc1oc2ccc(-c3ccccc3)cc2c1/N=C/c1ccccc1O
InChIInChI=1S/C28H20N2O3/c31-24-12-6-4-10-21(24)17-29-27-23-16-20(19-8-2-1-3-9-19)14-15-26(23)33-28(27)30-18-22-11-5-7-13-25(22)32/h1-18,31-32H/b29-17+,30-18?
InChIKeyRYZOINXBCBKWBN-BTMACWBJSA-N
MW432.48 g/mol
LogP7.01
Rot. Bonds5

About 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol

2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol (PubChem CID 139759541) has the molecular formula C28H20N2O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol
PubChem CID139759541
Molecular FormulaC28H20N2O3
Molecular Weight432.48 g/mol
Exact Mass432.15
IUPAC Name2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol
SMILESOc1ccccc1C=Nc1oc2ccc(-c3ccccc3)cc2c1/N=C/c1ccccc1O
InChIInChI=1S/C28H20N2O3/c31-24-12-6-4-10-21(24)17-29-27-23-16-20(19-8-2-1-3-9-19)14-15-26(23)33-28(27)30-18-22-11-5-7-13-25(22)32/h1-18,31-32H/b29-17+,30-18?
InChIKeyRYZOINXBCBKWBN-BTMACWBJSA-N
XLogP7.01
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol
CID 135800934
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
3,4-dihydroxy-6-phenylchromen-2-one
CID 54690428
9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-4-phenylphenol
CID 135620021
5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[4-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 161042353
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 58004094
17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 146440204
2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
CID 174908564
5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 58004207
2-[[4-(2-phenyl-1,3-oxazol-5-yl)phenyl]iminomethyl]phenol
CID 135567659

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol?
The IUPAC name of 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol (CID 139759541) is 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol is Oc1ccccc1C=Nc1oc2ccc(-c3ccccc3)cc2c1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol?
The InChIKey is RYZOINXBCBKWBN-BTMACWBJSA-N. The full InChI is InChI=1S/C28H20N2O3/c31-24-12-6-4-10-21(24)17-29-27-23-16-20(19-8-2-1-3-9-19)14-15-26(23)33-28(27)30-18-22-11-5-7-13-25(22)32/h1-18,31-32H/b29-17+,30-18?.
What are the key properties of 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol?
2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol has a molecular weight of 432.48 g/mol, XLogP of 7.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol is sourced from PubChem (CID 139759541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).