methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate

C24H19NO4 — CID 87893026

IUPACmethyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\C=O)COc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H19NO4/c1-28-24(27)18-11-9-16(10-12-18)13-17(14-26)15-29-22-8-4-6-20-19-5-2-3-7-21(19)25-23(20)22/h2-14,25H,15H2,1H3/b17-13+
InChIKeySJVPPFFMYWAIFL-GHRIWEEISA-N
MW385.42 g/mol
LogP4.77
Rot. Bonds6

About methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate

methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate (PubChem CID 87893026) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate
PubChem CID87893026
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Namemethyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\C=O)COc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H19NO4/c1-28-24(27)18-11-9-16(10-12-18)13-17(14-26)15-29-22-8-4-6-20-19-5-2-3-7-21(19)25-23(20)22/h2-14,25H,15H2,1H3/b17-13+
InChIKeySJVPPFFMYWAIFL-GHRIWEEISA-N
XLogP4.77
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-(9H-carbazol-1-yloxymethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate
CID 143194939
4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide
CID 73031267
methyl 4-[(E)-2-(bromomethyl)-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 59245026
1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one
CID 171380184
[1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-yl] benzoate
CID 70082649
methyl 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoate
CID 26366920
(Z)-3-(4-methoxycarbonylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83954143
methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate
CID 142687999
methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzoate
CID 140547243
methyl 4-[(E)-3-(furan-2-ylmethylamino)-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate
CID 66986986
methyl 4-[(Z)-2-[(cyclohexylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 140547254
[1-(9H-carbazol-1-yloxy)-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propan-2-yl] benzoate
CID 70083700

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate?
The IUPAC name of methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate (CID 87893026) is methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate is COC(=O)c1ccc(/C=C(\C=O)COc2cccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate?
The InChIKey is SJVPPFFMYWAIFL-GHRIWEEISA-N. The full InChI is InChI=1S/C24H19NO4/c1-28-24(27)18-11-9-16(10-12-18)13-17(14-26)15-29-22-8-4-6-20-19-5-2-3-7-21(19)25-23(20)22/h2-14,25H,15H2,1H3/b17-13+.
What are the key properties of methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate?
methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate has a molecular weight of 385.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate is sourced from PubChem (CID 87893026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).