(3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone

C16H11Cl2NO2 — CID 166063499

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone
SMILESCc1cc2ccccc2n1C(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO2/c1-9-6-10-4-2-3-5-14(10)19(9)16(21)11-7-12(17)15(20)13(18)8-11/h2-8,20H,1H3
InChIKeyAICCKGVDANPYCR-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.65
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone

(3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone (PubChem CID 166063499) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone
PubChem CID166063499
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone
SMILESCc1cc2ccccc2n1C(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO2/c1-9-6-10-4-2-3-5-14(10)19(9)16(21)11-7-12(17)15(20)13(18)8-11/h2-8,20H,1H3
InChIKeyAICCKGVDANPYCR-UHFFFAOYSA-N
XLogP4.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-Tetrahydro pyrido[3,4-b]indole 33
CID 6539948
1,2,3,4-Tetrahydro pyrido[3,4-b]indole 34
CID 6539949
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
CID 166063502
(3,5-Dichloro-4-hydroxyphenyl)-indazol-1-ylmethanone
CID 166063504
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[2,3-c]pyridin-1-ylmethanone
CID 166063512
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone
CID 166063514
(5-Chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone
CID 171346224
(3-chloro-4-hydroxyphenyl)-[9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]methanone
CID 9889160
(3,5-dichloro-4-hydroxyphenyl)-[9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]methanone
CID 9934354
(3-chloro-4-hydroxyphenyl)-[9-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]methanone
CID 12069301
(3-Chloro-4-hydroxyphenyl)-[2-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl]methanone
CID 87957848
(6-Chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 90743175

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone (CID 166063499) is (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone is Cc1cc2ccccc2n1C(=O)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone?
The InChIKey is AICCKGVDANPYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-9-6-10-4-2-3-5-14(10)19(9)16(21)11-7-12(17)15(20)13(18)8-11/h2-8,20H,1H3.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone?
(3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone has a molecular weight of 320.18 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)-(2-methylindol-1-yl)methanone is sourced from PubChem (CID 166063499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).