6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid

C20H18ClNO3 — CID 71765956

IUPAC6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CCC4)cc3)cc12
InChIInChI=1S/C20H18ClNO3/c21-17-9-18-15(16(10-22-18)19(24)25)8-14(17)12-2-4-13(5-3-12)20(11-23)6-1-7-20/h2-5,8-10,22-23H,1,6-7,11H2,(H,24,25)
InChIKeyOSNPJCNKGDNYRY-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.60
Rot. Bonds4

About 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid

6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid (PubChem CID 71765956) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid
PubChem CID71765956
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CCC4)cc3)cc12
InChIInChI=1S/C20H18ClNO3/c21-17-9-18-15(16(10-22-18)19(24)25)8-14(17)12-2-4-13(5-3-12)20(11-23)6-1-7-20/h2-5,8-10,22-23H,1,6-7,11H2,(H,24,25)
InChIKeyOSNPJCNKGDNYRY-UHFFFAOYSA-N
XLogP4.60
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid (CID 71765956) is 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CCC4)cc3)cc12.
What is the InChIKey of 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid?
The InChIKey is OSNPJCNKGDNYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-17-9-18-15(16(10-22-18)19(24)25)8-14(17)12-2-4-13(5-3-12)20(11-23)6-1-7-20/h2-5,8-10,22-23H,1,6-7,11H2,(H,24,25).
What are the key properties of 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid?
6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid has a molecular weight of 355.82 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 71765956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).