4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid

C17H16ClNO2 — CID 118697828

IUPAC4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid
SMILESCc1ccc2c(c1)c1cc(Cl)ccc1n2CCCC(=O)O
InChIInChI=1S/C17H16ClNO2/c1-11-4-6-15-13(9-11)14-10-12(18)5-7-16(14)19(15)8-2-3-17(20)21/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)
InChIKeyNWRXAJQUJNRSIK-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.62
Rot. Bonds4

About 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid

4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid (PubChem CID 118697828) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid
PubChem CID118697828
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid
SMILESCc1ccc2c(c1)c1cc(Cl)ccc1n2CCCC(=O)O
InChIInChI=1S/C17H16ClNO2/c1-11-4-6-15-13(9-11)14-10-12(18)5-7-16(14)19(15)8-2-3-17(20)21/h4-7,9-10H,2-3,8H2,1H3,(H,20,21)
InChIKeyNWRXAJQUJNRSIK-UHFFFAOYSA-N
XLogP4.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid?
The IUPAC name of 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid (CID 118697828) is 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid.
What is the SMILES notation for 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid?
The canonical SMILES for 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid is Cc1ccc2c(c1)c1cc(Cl)ccc1n2CCCC(=O)O.
What is the InChIKey of 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid?
The InChIKey is NWRXAJQUJNRSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-11-4-6-15-13(9-11)14-10-12(18)5-7-16(14)19(15)8-2-3-17(20)21/h4-7,9-10H,2-3,8H2,1H3,(H,20,21).
What are the key properties of 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid?
4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid has a molecular weight of 301.77 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid is sourced from PubChem (CID 118697828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).