1-carbazol-9-yl-3-phenylmethoxypropan-2-ol

C22H21NO2 — CID 602044

IUPAC1-carbazol-9-yl-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H21NO2/c24-18(16-25-15-17-8-2-1-3-9-17)14-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,24H,14-16H2
InChIKeyYORFMQKZZOXAJH-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.37
Rot. Bonds6

About 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol

1-carbazol-9-yl-3-phenylmethoxypropan-2-ol (PubChem CID 602044) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-phenylmethoxypropan-2-ol
PubChem CID602044
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name1-carbazol-9-yl-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H21NO2/c24-18(16-25-15-17-8-2-1-3-9-17)14-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,24H,14-16H2
InChIKeyYORFMQKZZOXAJH-UHFFFAOYSA-N
XLogP4.37
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol (CID 602044) is 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol?
The InChIKey is YORFMQKZZOXAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-18(16-25-15-17-8-2-1-3-9-17)14-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,24H,14-16H2.
What are the key properties of 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol?
1-carbazol-9-yl-3-phenylmethoxypropan-2-ol has a molecular weight of 331.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 602044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).