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

C23H19NO — CID 22978334

IUPACphenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol
SMILESOC(c1ccccc1)c1ccc2c(c1)CN=C2/C=C/c1ccccc1
InChIInChI=1S/C23H19NO/c25-23(18-9-5-2-6-10-18)19-12-13-21-20(15-19)16-24-22(21)14-11-17-7-3-1-4-8-17/h1-15,23,25H,16H2/b14-11+
InChIKeyRQVBXGWOUIWVLZ-SDNWHVSQSA-N
MW325.41 g/mol
LogP4.78
Rot. Bonds4

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

phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol (PubChem CID 22978334) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol.

Molecular Properties

Compound Namephenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol
PubChem CID22978334
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Namephenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol
SMILESOC(c1ccccc1)c1ccc2c(c1)CN=C2/C=C/c1ccccc1
InChIInChI=1S/C23H19NO/c25-23(18-9-5-2-6-10-18)19-12-13-21-20(15-19)16-24-22(21)14-11-17-7-3-1-4-8-17/h1-15,23,25H,16H2/b14-11+
InChIKeyRQVBXGWOUIWVLZ-SDNWHVSQSA-N
XLogP4.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
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[2-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
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[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
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(1R)-3-benzylimino-1,3-diphenylpropan-1-ol
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3-(4-Methylphenyl)-1-propylisoindol-1-ol
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Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol?
The IUPAC name of phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol (CID 22978334) is phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol.
What is the SMILES notation for phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol?
The canonical SMILES for phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol is OC(c1ccccc1)c1ccc2c(c1)CN=C2/C=C/c1ccccc1.
What is the InChIKey of phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol?
The InChIKey is RQVBXGWOUIWVLZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H19NO/c25-23(18-9-5-2-6-10-18)19-12-13-21-20(15-19)16-24-22(21)14-11-17-7-3-1-4-8-17/h1-15,23,25H,16H2/b14-11+.
What are the key properties of phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol?
phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol has a molecular weight of 325.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[(E)-2-phenylethenyl]-3H-isoindol-5-yl]methanol is sourced from PubChem (CID 22978334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).