6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one

C13H15ClO2 — CID 10037229

IUPAC6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)Oc1cc2c(cc1Cl)CCCC2=O
InChIInChI=1S/C13H15ClO2/c1-8(2)16-13-7-10-9(6-11(13)14)4-3-5-12(10)15/h6-8H,3-5H2,1-2H3
InChIKeyFJKXLAHUCJBOLA-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.65
Rot. Bonds2

About 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one

6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10037229) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10037229
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)Oc1cc2c(cc1Cl)CCCC2=O
InChIInChI=1S/C13H15ClO2/c1-8(2)16-13-7-10-9(6-11(13)14)4-3-5-12(10)15/h6-8H,3-5H2,1-2H3
InChIKeyFJKXLAHUCJBOLA-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one (CID 10037229) is 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one is CC(C)Oc1cc2c(cc1Cl)CCCC2=O.
What is the InChIKey of 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FJKXLAHUCJBOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-8(2)16-13-7-10-9(6-11(13)14)4-3-5-12(10)15/h6-8H,3-5H2,1-2H3.
What are the key properties of 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one?
6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 238.71 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-propan-2-yloxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10037229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).