3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol

C16H16ClNO — CID 14030309

IUPAC3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(Cl)c2c(c1O)C(N)C(c1ccccc1)C2
InChIInChI=1S/C16H16ClNO/c1-9-7-13(17)12-8-11(10-5-3-2-4-6-10)15(18)14(12)16(9)19/h2-7,11,15,19H,8,18H2,1H3
InChIKeyROHCPRWCNRGGMN-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.69
Rot. Bonds1

About 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol

3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 14030309) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol
PubChem CID14030309
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(Cl)c2c(c1O)C(N)C(c1ccccc1)C2
InChIInChI=1S/C16H16ClNO/c1-9-7-13(17)12-8-11(10-5-3-2-4-6-10)15(18)14(12)16(9)19/h2-7,11,15,19H,8,18H2,1H3
InChIKeyROHCPRWCNRGGMN-UHFFFAOYSA-N
XLogP3.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol (CID 14030309) is 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol is Cc1cc(Cl)c2c(c1O)C(N)C(c1ccccc1)C2.
What is the InChIKey of 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ROHCPRWCNRGGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-9-7-13(17)12-8-11(10-5-3-2-4-6-10)15(18)14(12)16(9)19/h2-7,11,15,19H,8,18H2,1H3.
What are the key properties of 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol?
3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 273.76 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-chloro-5-methyl-2-phenyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 14030309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).