(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol

C16H17NO2 — CID 58878130

IUPAC(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
SMILESCC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C16H17NO2/c1-2-11(18)10-19-15-9-5-8-14-16(15)12-6-3-4-7-13(12)17-14/h3-9,11,17-18H,2,10H2,1H3/t11-/m1/s1
InChIKeyMKNRKDBVLRBNJH-LLVKDONJSA-N
MW255.32 g/mol
LogP3.47
Rot. Bonds4

About (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol

(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol (PubChem CID 58878130) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
PubChem CID58878130
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
SMILESCC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C16H17NO2/c1-2-11(18)10-19-15-9-5-8-14-16(15)12-6-3-4-7-13(12)17-14/h3-9,11,17-18H,2,10H2,1H3/t11-/m1/s1
InChIKeyMKNRKDBVLRBNJH-LLVKDONJSA-N
XLogP3.47
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol?
The IUPAC name of (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol (CID 58878130) is (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol.
What is the SMILES notation for (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol?
The canonical SMILES for (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol is CC[C@@H](O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol?
The InChIKey is MKNRKDBVLRBNJH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-11(18)10-19-15-9-5-8-14-16(15)12-6-3-4-7-13(12)17-14/h3-9,11,17-18H,2,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol?
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol has a molecular weight of 255.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(9H-carbazol-4-yloxy)butan-2-ol is sourced from PubChem (CID 58878130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).