1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol

C16H13Cl2NO — CID 174670552

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol
SMILESCc1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO/c1-10-6-12-8-13(20)3-5-16(12)19(10)9-11-2-4-14(17)15(18)7-11/h2-8,20H,9H2,1H3
InChIKeyNYUPBXRLEYKFOS-UHFFFAOYSA-N
MW306.19 g/mol
LogP5.01
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol

1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol (PubChem CID 174670552) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol
PubChem CID174670552
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol
SMILESCc1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO/c1-10-6-12-8-13(20)3-5-16(12)19(10)9-11-2-4-14(17)15(18)7-11/h2-8,20H,9H2,1H3
InChIKeyNYUPBXRLEYKFOS-UHFFFAOYSA-N
XLogP5.01
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol (CID 174670552) is 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol is Cc1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol?
The InChIKey is NYUPBXRLEYKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-10-6-12-8-13(20)3-5-16(12)19(10)9-11-2-4-14(17)15(18)7-11/h2-8,20H,9H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol?
1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol has a molecular weight of 306.19 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-methylindol-5-ol is sourced from PubChem (CID 174670552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).