9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole

C23H21NO — CID 155804386

IUPAC9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole
SMILESC=C[C@H](Cn1c2ccccc2c2ccccc21)c1cccc(OC)c1
InChIInChI=1S/C23H21NO/c1-3-17(18-9-8-10-19(15-18)25-2)16-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h3-15,17H,1,16H2,2H3/t17-/m1/s1
InChIKeyWWILMFLESWAJTO-QGZVFWFLSA-N
MW327.43 g/mol
LogP5.77
Rot. Bonds5

About 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole

9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole (PubChem CID 155804386) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole.

Molecular Properties

Compound Name9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole
PubChem CID155804386
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole
SMILESC=C[C@H](Cn1c2ccccc2c2ccccc21)c1cccc(OC)c1
InChIInChI=1S/C23H21NO/c1-3-17(18-9-8-10-19(15-18)25-2)16-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h3-15,17H,1,16H2,2H3/t17-/m1/s1
InChIKeyWWILMFLESWAJTO-QGZVFWFLSA-N
XLogP5.77
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2S)-1-carbazol-9-ylbut-3-en-2-yl]phenyl]-trimethylsilane
CID 155804337
2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane
CID 134952605
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
azane;1-but-3-en-2-yl-3-methoxybenzene
CID 143849691
3-(3-methoxyphenyl)-2-methylpent-4-enal
CID 174715071
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
N-[(2S)-1-(3,6-dimethoxycarbazol-9-yl)but-3-en-2-yl]-4-methoxyaniline
CID 177421690
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
9-butyl-3-methoxycarbazole
CID 132503458
(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15314141
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole?
The IUPAC name of 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole (CID 155804386) is 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole.
What is the SMILES notation for 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole?
The canonical SMILES for 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole is C=C[C@H](Cn1c2ccccc2c2ccccc21)c1cccc(OC)c1.
What is the InChIKey of 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole?
The InChIKey is WWILMFLESWAJTO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21NO/c1-3-17(18-9-8-10-19(15-18)25-2)16-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h3-15,17H,1,16H2,2H3/t17-/m1/s1.
What are the key properties of 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole?
9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole has a molecular weight of 327.43 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-2-(3-methoxyphenyl)but-3-enyl]carbazole is sourced from PubChem (CID 155804386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).