2-(9H-carbazol-4-yloxy)pentanoic acid

C17H17NO3 — CID 59571754

IUPAC2-(9H-carbazol-4-yloxy)pentanoic acid
SMILESCCCC(Oc1cccc2[nH]c3ccccc3c12)C(=O)O
InChIInChI=1S/C17H17NO3/c1-2-6-15(17(19)20)21-14-10-5-9-13-16(14)11-7-3-4-8-12(11)18-13/h3-5,7-10,15,18H,2,6H2,1H3,(H,19,20)
InChIKeyQTUFEIRYWBMXDS-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.95
Rot. Bonds5

About 2-(9H-carbazol-4-yloxy)pentanoic acid

2-(9H-carbazol-4-yloxy)pentanoic acid (PubChem CID 59571754) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(9H-carbazol-4-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-(9H-carbazol-4-yloxy)pentanoic acid
PubChem CID59571754
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(9H-carbazol-4-yloxy)pentanoic acid
SMILESCCCC(Oc1cccc2[nH]c3ccccc3c12)C(=O)O
InChIInChI=1S/C17H17NO3/c1-2-6-15(17(19)20)21-14-10-5-9-13-16(14)11-7-3-4-8-12(11)18-13/h3-5,7-10,15,18H,2,6H2,1H3,(H,19,20)
InChIKeyQTUFEIRYWBMXDS-UHFFFAOYSA-N
XLogP3.95
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylphenoxy)pentanoic acid
CID 83038631
(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
9H-carbazol-4-yl N,N-diethylcarbamate
CID 165357789
2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
CID 83041368
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006
2-(9H-carbazol-4-yloxy)-N'-hydroxypropanimidamide
CID 3070308
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
2-(2-methoxyphenoxy)decanoic acid
CID 21317194
(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid
CID 124564878
1-(9H-carbazol-4-yloxy)-2-methylpropan-2-ol
CID 101255644
2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-4-yloxy)pentanoic acid?
The IUPAC name of 2-(9H-carbazol-4-yloxy)pentanoic acid (CID 59571754) is 2-(9H-carbazol-4-yloxy)pentanoic acid.
What is the SMILES notation for 2-(9H-carbazol-4-yloxy)pentanoic acid?
The canonical SMILES for 2-(9H-carbazol-4-yloxy)pentanoic acid is CCCC(Oc1cccc2[nH]c3ccccc3c12)C(=O)O.
What is the InChIKey of 2-(9H-carbazol-4-yloxy)pentanoic acid?
The InChIKey is QTUFEIRYWBMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-6-15(17(19)20)21-14-10-5-9-13-16(14)11-7-3-4-8-12(11)18-13/h3-5,7-10,15,18H,2,6H2,1H3,(H,19,20).
What are the key properties of 2-(9H-carbazol-4-yloxy)pentanoic acid?
2-(9H-carbazol-4-yloxy)pentanoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-4-yloxy)pentanoic acid is sourced from PubChem (CID 59571754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).