4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid

C22H19NO4 — CID 2771946

IUPAC4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H19NO4/c24-16(14-27-17-11-9-15(10-12-17)22(25)26)13-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-12,16,24H,13-14H2,(H,25,26)
InChIKeyGEKAWNLLVQPPQC-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.93
Rot. Bonds6

About 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid

4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid (PubChem CID 2771946) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid.

Molecular Properties

Compound Name4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid
PubChem CID2771946
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C22H19NO4/c24-16(14-27-17-11-9-15(10-12-17)22(25)26)13-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-12,16,24H,13-14H2,(H,25,26)
InChIKeyGEKAWNLLVQPPQC-UHFFFAOYSA-N
XLogP3.93
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid?
The IUPAC name of 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid (CID 2771946) is 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid.
What is the SMILES notation for 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid?
The canonical SMILES for 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid is O=C(O)c1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid?
The InChIKey is GEKAWNLLVQPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-16(14-27-17-11-9-15(10-12-17)22(25)26)13-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-12,16,24H,13-14H2,(H,25,26).
What are the key properties of 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid?
4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid has a molecular weight of 361.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-yl-2-hydroxypropoxy)benzoic acid is sourced from PubChem (CID 2771946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).