7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol

C13H17ClO — CID 169146022

IUPAC7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol
SMILESCC(C)C1(C)CCc2c(Cl)ccc(O)c21
InChIInChI=1S/C13H17ClO/c1-8(2)13(3)7-6-9-10(14)4-5-11(15)12(9)13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyUATMROKQFQSTBY-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.91
Rot. Bonds1

About 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol

7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol (PubChem CID 169146022) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol.

Molecular Properties

Compound Name7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol
PubChem CID169146022
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol
SMILESCC(C)C1(C)CCc2c(Cl)ccc(O)c21
InChIInChI=1S/C13H17ClO/c1-8(2)13(3)7-6-9-10(14)4-5-11(15)12(9)13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyUATMROKQFQSTBY-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol?
The IUPAC name of 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol (CID 169146022) is 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol.
What is the SMILES notation for 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol?
The canonical SMILES for 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol is CC(C)C1(C)CCc2c(Cl)ccc(O)c21.
What is the InChIKey of 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol?
The InChIKey is UATMROKQFQSTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-8(2)13(3)7-6-9-10(14)4-5-11(15)12(9)13/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol?
7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol has a molecular weight of 224.73 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-3-propan-2-yl-1,2-dihydroinden-4-ol is sourced from PubChem (CID 169146022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).