2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol

C15H13ClO — CID 173127017

IUPAC2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol
SMILESOc1ccccc1C1CCc2c(Cl)cccc21
InChIInChI=1S/C15H13ClO/c16-14-6-3-5-10-11(8-9-12(10)14)13-4-1-2-7-15(13)17/h1-7,11,17H,8-9H2
InChIKeyJXKCSMRFKXACRH-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.12
Rot. Bonds1

About 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol

2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol (PubChem CID 173127017) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol
PubChem CID173127017
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol
SMILESOc1ccccc1C1CCc2c(Cl)cccc21
InChIInChI=1S/C15H13ClO/c16-14-6-3-5-10-11(8-9-12(10)14)13-4-1-2-7-15(13)17/h1-7,11,17H,8-9H2
InChIKeyJXKCSMRFKXACRH-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol?
The IUPAC name of 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol (CID 173127017) is 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol.
What is the SMILES notation for 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol?
The canonical SMILES for 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol is Oc1ccccc1C1CCc2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol?
The InChIKey is JXKCSMRFKXACRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c16-14-6-3-5-10-11(8-9-12(10)14)13-4-1-2-7-15(13)17/h1-7,11,17H,8-9H2.
What are the key properties of 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol?
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol has a molecular weight of 244.72 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol is sourced from PubChem (CID 173127017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).