2-(4-chlorophenyl)-1,3-dihydroinden-2-ol

C15H13ClO — CID 60864070

IUPAC2-(4-chlorophenyl)-1,3-dihydroinden-2-ol
SMILESOC1(c2ccc(Cl)cc2)Cc2ccccc2C1
InChIInChI=1S/C15H13ClO/c16-14-7-5-13(6-8-14)15(17)9-11-3-1-2-4-12(11)10-15/h1-8,17H,9-10H2
InChIKeyMABQEPBDXGLDJQ-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.33
Rot. Bonds1

About 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol

2-(4-chlorophenyl)-1,3-dihydroinden-2-ol (PubChem CID 60864070) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-dihydroinden-2-ol
PubChem CID60864070
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name2-(4-chlorophenyl)-1,3-dihydroinden-2-ol
SMILESOC1(c2ccc(Cl)cc2)Cc2ccccc2C1
InChIInChI=1S/C15H13ClO/c16-14-7-5-13(6-8-14)15(17)9-11-3-1-2-4-12(11)10-15/h1-8,17H,9-10H2
InChIKeyMABQEPBDXGLDJQ-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol (CID 60864070) is 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol is OC1(c2ccc(Cl)cc2)Cc2ccccc2C1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol?
The InChIKey is MABQEPBDXGLDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c16-14-7-5-13(6-8-14)15(17)9-11-3-1-2-4-12(11)10-15/h1-8,17H,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol?
2-(4-chlorophenyl)-1,3-dihydroinden-2-ol has a molecular weight of 244.72 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 60864070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).