6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole

C19H18BrNO — CID 11773762

IUPAC6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3OCc1ccccc1
InChIInChI=1S/C19H18BrNO/c20-14-9-10-17-16(11-14)15-7-4-8-18(19(15)21-17)22-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,21H,4,7-8,12H2
InChIKeyKDIDKBYCWWOWMJ-UHFFFAOYSA-N
MW356.26 g/mol
LogP5.52
Rot. Bonds3

About 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole

6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 11773762) has the molecular formula C19H18BrNO and a molecular weight of 356.26 g/mol. Its IUPAC name is 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID11773762
Molecular FormulaC19H18BrNO
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3OCc1ccccc1
InChIInChI=1S/C19H18BrNO/c20-14-9-10-17-16(11-14)15-7-4-8-18(19(15)21-17)22-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,21H,4,7-8,12H2
InChIKeyKDIDKBYCWWOWMJ-UHFFFAOYSA-N
XLogP5.52
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.26
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole (CID 11773762) is 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole is Brc1ccc2[nH]c3c(c2c1)CCCC3OCc1ccccc1.
What is the InChIKey of 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is KDIDKBYCWWOWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO/c20-14-9-10-17-16(11-14)15-7-4-8-18(19(15)21-17)22-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,21H,4,7-8,12H2.
What are the key properties of 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole?
6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 356.26 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 11773762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).