6-chloro-3-prop-2-enyl-9H-carbazol-2-ol

C15H12ClNO — CID 25143902

IUPAC6-chloro-3-prop-2-enyl-9H-carbazol-2-ol
SMILESC=CCc1cc2c(cc1O)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H12ClNO/c1-2-3-9-6-11-12-7-10(16)4-5-13(12)17-14(11)8-15(9)18/h2,4-8,17-18H,1,3H2
InChIKeyLEIRWPGBOOIHGU-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.41
Rot. Bonds2

About 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol

6-chloro-3-prop-2-enyl-9H-carbazol-2-ol (PubChem CID 25143902) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol.

Molecular Properties

Compound Name6-chloro-3-prop-2-enyl-9H-carbazol-2-ol
PubChem CID25143902
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name6-chloro-3-prop-2-enyl-9H-carbazol-2-ol
SMILESC=CCc1cc2c(cc1O)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H12ClNO/c1-2-3-9-6-11-12-7-10(16)4-5-13(12)17-14(11)8-15(9)18/h2,4-8,17-18H,1,3H2
InChIKeyLEIRWPGBOOIHGU-UHFFFAOYSA-N
XLogP4.41
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol?
The IUPAC name of 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol (CID 25143902) is 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol.
What is the SMILES notation for 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol?
The canonical SMILES for 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol is C=CCc1cc2c(cc1O)[nH]c1ccc(Cl)cc12.
What is the InChIKey of 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol?
The InChIKey is LEIRWPGBOOIHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-2-3-9-6-11-12-7-10(16)4-5-13(12)17-14(11)8-15(9)18/h2,4-8,17-18H,1,3H2.
What are the key properties of 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol?
6-chloro-3-prop-2-enyl-9H-carbazol-2-ol has a molecular weight of 257.72 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-prop-2-enyl-9H-carbazol-2-ol is sourced from PubChem (CID 25143902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).