(3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol

C23H18N2O3 — CID 22978170

IUPAC(3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol
SMILESO=[N+]([O-])c1cccc(C(O)c2ccc3c(c2)CN=C3/C=C/c2ccccc2)c1
InChIInChI=1S/C23H18N2O3/c26-23(17-7-4-8-20(14-17)25(27)28)18-10-11-21-19(13-18)15-24-22(21)12-9-16-5-2-1-3-6-16/h1-14,23,26H,15H2/b12-9+
InChIKeyIZDFAEVMFKHTHI-FMIVXFBMSA-N
MW370.41 g/mol
LogP4.69
Rot. Bonds5

About (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol

(3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol (PubChem CID 22978170) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol.

Molecular Properties

Compound Name(3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol
PubChem CID22978170
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol
SMILESO=[N+]([O-])c1cccc(C(O)c2ccc3c(c2)CN=C3/C=C/c2ccccc2)c1
InChIInChI=1S/C23H18N2O3/c26-23(17-7-4-8-20(14-17)25(27)28)18-10-11-21-19(13-18)15-24-22(21)12-9-16-5-2-1-3-6-16/h1-14,23,26H,15H2/b12-9+
InChIKeyIZDFAEVMFKHTHI-FMIVXFBMSA-N
XLogP4.69
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
(R)-(3,4-dimethylphenyl)-(3-nitrophenyl)methanol
CID 100803950
1-nitro-3-[1-[1-(3-nitrophenyl)-3-phenylprop-2-enyl]sulfonyl-3-phenylprop-2-enyl]benzene
CID 173069313
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
1-[(E)-1-bromo-4-phenylbut-3-enyl]-3-nitrobenzene
CID 11573494
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(R)-dibenzofuran-3-yl-(3-nitrophenyl)methanol
CID 100804365
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
methyl (E)-2-(3-nitrophenyl)-3-oxo-5-phenylpent-4-enoate
CID 70633561
(R)-(4-ethoxyphenyl)-(3-nitrophenyl)methanol
CID 100803960
(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567
(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol
CID 6922856

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol?
The IUPAC name of (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol (CID 22978170) is (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol.
What is the SMILES notation for (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol?
The canonical SMILES for (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol is O=[N+]([O-])c1cccc(C(O)c2ccc3c(c2)CN=C3/C=C/c2ccccc2)c1.
What is the InChIKey of (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol?
The InChIKey is IZDFAEVMFKHTHI-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-23(17-7-4-8-20(14-17)25(27)28)18-10-11-21-19(13-18)15-24-22(21)12-9-16-5-2-1-3-6-16/h1-14,23,26H,15H2/b12-9+.
What are the key properties of (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol?
(3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol has a molecular weight of 370.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrophenyl)-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol is sourced from PubChem (CID 22978170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).