[3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate

C17H13Cl2NO3 — CID 69233288

IUPAC[3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(Cl)cc2c3cc(Cl)ccc3n(CCO)c12
InChIInChI=1S/C17H13Cl2NO3/c1-2-16(22)23-15-9-11(19)8-13-12-7-10(18)3-4-14(12)20(5-6-21)17(13)15/h2-4,7-9,21H,1,5-6H2
InChIKeyOCDYWOIWBPAMEY-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.18
Rot. Bonds4

About [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate

[3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate (PubChem CID 69233288) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate.

Molecular Properties

Compound Name[3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate
PubChem CID69233288
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name[3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(Cl)cc2c3cc(Cl)ccc3n(CCO)c12
InChIInChI=1S/C17H13Cl2NO3/c1-2-16(22)23-15-9-11(19)8-13-12-7-10(18)3-4-14(12)20(5-6-21)17(13)15/h2-4,7-9,21H,1,5-6H2
InChIKeyOCDYWOIWBPAMEY-UHFFFAOYSA-N
XLogP4.18
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyl-5-chlorophenyl) prop-2-enoate
CID 174666775
(7-chloro-3-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406697
[4-chloro-2-(5-chloro-2-prop-2-enoyloxyphenyl)sulfanylphenyl] prop-2-enoate
CID 59739104
(7-chloro-3-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406551
(2,3,6-trichloro-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406382
6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82247120
(2-amino-6-chloro-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406664
(2-amino-6-chloro-4-methoxycarbonyloxynaphthalen-1-yl) prop-2-enoate
CID 163407082
(3-chlorophenyl) prop-2-enoate
CID 10241458
(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate
CID 20540258
[2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate
CID 140539986
5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
CID 83499030

Frequently Asked Questions

What is the IUPAC name of [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate?
The IUPAC name of [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate (CID 69233288) is [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate.
What is the SMILES notation for [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate?
The canonical SMILES for [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate is C=CC(=O)Oc1cc(Cl)cc2c3cc(Cl)ccc3n(CCO)c12.
What is the InChIKey of [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate?
The InChIKey is OCDYWOIWBPAMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c1-2-16(22)23-15-9-11(19)8-13-12-7-10(18)3-4-14(12)20(5-6-21)17(13)15/h2-4,7-9,21H,1,5-6H2.
What are the key properties of [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate?
[3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate has a molecular weight of 350.20 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dichloro-9-(2-hydroxyethyl)carbazol-1-yl] prop-2-enoate is sourced from PubChem (CID 69233288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).