9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C21H15NO4 — CID 142723697

IUPAC9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)c(O)c1)Oc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C21H15NO4/c23-19-9-5-13(11-20(19)24)6-10-21(25)26-14-7-8-18-16(12-14)15-3-1-2-4-17(15)22-18/h1-12,22-24H/b10-6+
InChIKeyGGVFSOLRALJENZ-UXBLZVDNSA-N
MW345.35 g/mol
LogP4.35
Rot. Bonds3

About 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (PubChem CID 142723697) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
PubChem CID142723697
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)c(O)c1)Oc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C21H15NO4/c23-19-9-5-13(11-20(19)24)6-10-21(25)26-14-7-8-18-16(12-14)15-3-1-2-4-17(15)22-18/h1-12,22-24H/b10-6+
InChIKeyGGVFSOLRALJENZ-UXBLZVDNSA-N
XLogP4.35
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

9H-carbazol-3-yl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 142723711
9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate
CID 142723689
tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate
CID 11551058
9H-carbazol-3-yl benzoate
CID 142723701
(5-isothiocyanatonaphthalen-2-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 6475994
(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 122192252
2H-tetrazol-5-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 139345085
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 3-phenylprop-2-enoate
CID 78386718
tert-butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 44571369
3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole
CID 163731823
[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 176849426
decyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 71391747

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate?
The IUPAC name of 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CID 142723697) is 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
What is the SMILES notation for 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate?
The canonical SMILES for 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(O)c(O)c1)Oc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate?
The InChIKey is GGVFSOLRALJENZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H15NO4/c23-19-9-5-13(11-20(19)24)6-10-21(25)26-14-7-8-18-16(12-14)15-3-1-2-4-17(15)22-18/h1-12,22-24H/b10-6+.
What are the key properties of 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate?
9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate has a molecular weight of 345.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 142723697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).