2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C18H17ClO2 — CID 977926

IUPAC2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(COc1ccccc1Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H17ClO2/c19-16-7-3-4-8-18(16)21-12-17(20)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-11H,1-2,5-6,12H2
InChIKeyPKMNMWMKPQAKBF-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.48
Rot. Bonds4

About 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 977926) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID977926
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(COc1ccccc1Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H17ClO2/c19-16-7-3-4-8-18(16)21-12-17(20)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-11H,1-2,5-6,12H2
InChIKeyPKMNMWMKPQAKBF-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 977926) is 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(COc1ccccc1Cl)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is PKMNMWMKPQAKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c19-16-7-3-4-8-18(16)21-12-17(20)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-11H,1-2,5-6,12H2.
What are the key properties of 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 300.79 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 977926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).