9-benzyl-3-chlorocarbazol-4-ol

C19H14ClNO — CID 18671656

IUPAC9-benzyl-3-chlorocarbazol-4-ol
SMILESOc1c(Cl)ccc2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C19H14ClNO/c20-15-10-11-17-18(19(15)22)14-8-4-5-9-16(14)21(17)12-13-6-2-1-3-7-13/h1-11,22H,12H2
InChIKeyKXZFTGAWHTXNDF-UHFFFAOYSA-N
MW307.78 g/mol
LogP5.20
Rot. Bonds2

About 9-benzyl-3-chlorocarbazol-4-ol

9-benzyl-3-chlorocarbazol-4-ol (PubChem CID 18671656) has the molecular formula C19H14ClNO and a molecular weight of 307.78 g/mol. Its IUPAC name is 9-benzyl-3-chlorocarbazol-4-ol.

Molecular Properties

Compound Name9-benzyl-3-chlorocarbazol-4-ol
PubChem CID18671656
Molecular FormulaC19H14ClNO
Molecular Weight307.78 g/mol
Exact Mass307.08
IUPAC Name9-benzyl-3-chlorocarbazol-4-ol
SMILESOc1c(Cl)ccc2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C19H14ClNO/c20-15-10-11-17-18(19(15)22)14-8-4-5-9-16(14)21(17)12-13-6-2-1-3-7-13/h1-11,22H,12H2
InChIKeyKXZFTGAWHTXNDF-UHFFFAOYSA-N
XLogP5.20
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.78
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-chlorocarbazol-4-ol?
The IUPAC name of 9-benzyl-3-chlorocarbazol-4-ol (CID 18671656) is 9-benzyl-3-chlorocarbazol-4-ol.
What is the SMILES notation for 9-benzyl-3-chlorocarbazol-4-ol?
The canonical SMILES for 9-benzyl-3-chlorocarbazol-4-ol is Oc1c(Cl)ccc2c1c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-chlorocarbazol-4-ol?
The InChIKey is KXZFTGAWHTXNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO/c20-15-10-11-17-18(19(15)22)14-8-4-5-9-16(14)21(17)12-13-6-2-1-3-7-13/h1-11,22H,12H2.
What are the key properties of 9-benzyl-3-chlorocarbazol-4-ol?
9-benzyl-3-chlorocarbazol-4-ol has a molecular weight of 307.78 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-chlorocarbazol-4-ol is sourced from PubChem (CID 18671656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).