7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C17H15ClO2 — CID 23353531

IUPAC7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(OCc3cccc(Cl)c3)cc21
InChIInChI=1S/C17H15ClO2/c18-14-5-1-3-12(9-14)11-20-15-8-7-13-4-2-6-17(19)16(13)10-15/h1,3,5,7-10H,2,4,6,11H2
InChIKeyIKZMHTLKMVKITI-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.44
Rot. Bonds3

About 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 23353531) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID23353531
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(OCc3cccc(Cl)c3)cc21
InChIInChI=1S/C17H15ClO2/c18-14-5-1-3-12(9-14)11-20-15-8-7-13-4-2-6-17(19)16(13)10-15/h1,3,5,7-10H,2,4,6,11H2
InChIKeyIKZMHTLKMVKITI-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 23353531) is 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(OCc3cccc(Cl)c3)cc21.
What is the InChIKey of 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is IKZMHTLKMVKITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-14-5-1-3-12(9-14)11-20-15-8-7-13-4-2-6-17(19)16(13)10-15/h1,3,5,7-10H,2,4,6,11H2.
What are the key properties of 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 286.76 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 23353531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).