2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid

C16H11Cl2NO3 — CID 118835567

IUPAC2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2cc(O)cc(-c3c(Cl)cccc3Cl)c12
InChIInChI=1S/C16H11Cl2NO3/c17-11-2-1-3-12(18)16(11)10-5-9(20)6-13-15(10)8(7-19-13)4-14(21)22/h1-3,5-7,19-20H,4H2,(H,21,22)
InChIKeyZXENUWPNDAMJBK-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.47
Rot. Bonds3

About 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid

2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid (PubChem CID 118835567) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid
PubChem CID118835567
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2cc(O)cc(-c3c(Cl)cccc3Cl)c12
InChIInChI=1S/C16H11Cl2NO3/c17-11-2-1-3-12(18)16(11)10-5-9(20)6-13-15(10)8(7-19-13)4-14(21)22/h1-3,5-7,19-20H,4H2,(H,21,22)
InChIKeyZXENUWPNDAMJBK-UHFFFAOYSA-N
XLogP4.47
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid (CID 118835567) is 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid is O=C(O)Cc1c[nH]c2cc(O)cc(-c3c(Cl)cccc3Cl)c12.
What is the InChIKey of 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid?
The InChIKey is ZXENUWPNDAMJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c17-11-2-1-3-12(18)16(11)10-5-9(20)6-13-15(10)8(7-19-13)4-14(21)22/h1-3,5-7,19-20H,4H2,(H,21,22).
What are the key properties of 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid?
2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid has a molecular weight of 336.17 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dichlorophenyl)-6-hydroxy-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 118835567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).