6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid

C20H18ClNO4 — CID 86698669

IUPAC6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(O[C@@H]4CCC[C@H]4O)cc3)cc12
InChIInChI=1S/C20H18ClNO4/c21-16-9-17-14(15(10-22-17)20(24)25)8-13(16)11-4-6-12(7-5-11)26-19-3-1-2-18(19)23/h4-10,18-19,22-23H,1-3H2,(H,24,25)/t18-,19-/m1/s1
InChIKeyAHRGHLXHIBYZOE-RTBURBONSA-N
MW371.82 g/mol
LogP4.48
Rot. Bonds4

About 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid

6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid (PubChem CID 86698669) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid
PubChem CID86698669
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(O[C@@H]4CCC[C@H]4O)cc3)cc12
InChIInChI=1S/C20H18ClNO4/c21-16-9-17-14(15(10-22-17)20(24)25)8-13(16)11-4-6-12(7-5-11)26-19-3-1-2-18(19)23/h4-10,18-19,22-23H,1-3H2,(H,24,25)/t18-,19-/m1/s1
InChIKeyAHRGHLXHIBYZOE-RTBURBONSA-N
XLogP4.48
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 123853411
6-chloro-5-[4-(2-methoxyethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 71765798
6-chloro-5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 86698689
6-chloro-5-[4-(2-piperazin-1-ylethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 86698685
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
5-[4-[[1-[amino(ethyl)amino]azetidin-3-yl]methoxy]phenyl]-6-chloro-1H-indole-3-carboxylic acid
CID 151017511
6-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-3-carboxylic acid
CID 129225366
6-chloro-5-[4-(1-hydroxycyclobutyl)-3-methoxyphenyl]-1H-indole-3-carboxylic acid
CID 71766241
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
2-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
CID 141367656
1-[4-(6-chloro-3-formyl-1H-indol-5-yl)phenyl]cyclobutane-1-carboxylic acid
CID 86698747
1-[6-chloro-2-hydroxy-5-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indol-3-yl]ethanone
CID 137484076

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid (CID 86698669) is 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(O[C@@H]4CCC[C@H]4O)cc3)cc12.
What is the InChIKey of 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid?
The InChIKey is AHRGHLXHIBYZOE-RTBURBONSA-N. The full InChI is InChI=1S/C20H18ClNO4/c21-16-9-17-14(15(10-22-17)20(24)25)8-13(16)11-4-6-12(7-5-11)26-19-3-1-2-18(19)23/h4-10,18-19,22-23H,1-3H2,(H,24,25)/t18-,19-/m1/s1.
What are the key properties of 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid?
6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid has a molecular weight of 371.82 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 86698669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).