5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one

C52H54Br2Cl4O6 — CID 160801679

IUPAC5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(ccc(Cl)c2Br)C1.O=C1CCc2c(ccc(Cl)c2COC2CCCC2)C1.O=C1CCc2cc(Cl)c(Br)cc2C1.O=C1CCc2cc(Cl)c(COC3CCCC3)cc2C1
InChIInChI=1S/2C16H19ClO2.2C10H8BrClO/c17-16-8-5-11-9-12(18)6-7-14(11)15(16)10-19-13-3-1-2-4-13;17-16-9-11-5-6-14(18)8-12(11)7-13(16)10-19-15-3-1-2-4-15;11-10-8-3-2-7(13)5-6(8)1-4-9(10)12;11-9-4-7-3-8(13)2-1-6(7)5-10(9)12/h5,8,13H,1-4,6-7,9-10H2;7,9,15H,1-6,8,10H2;1,4H,2-3,5H2;4-5H,1-3H2
InChIKeySDDPYCGZVTZDMY-UHFFFAOYSA-N
MW1076.62 g/mol
LogP14.03
Rot. Bonds6

About 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one

5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 160801679) has the molecular formula C52H54Br2Cl4O6 and a molecular weight of 1076.62 g/mol. Its IUPAC name is 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID160801679
Molecular FormulaC52H54Br2Cl4O6
Molecular Weight1076.62 g/mol
Exact Mass1072.10
IUPAC Name5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(ccc(Cl)c2Br)C1.O=C1CCc2c(ccc(Cl)c2COC2CCCC2)C1.O=C1CCc2cc(Cl)c(Br)cc2C1.O=C1CCc2cc(Cl)c(COC3CCCC3)cc2C1
InChIInChI=1S/2C16H19ClO2.2C10H8BrClO/c17-16-8-5-11-9-12(18)6-7-14(11)15(16)10-19-13-3-1-2-4-13;17-16-9-11-5-6-14(18)8-12(11)7-13(16)10-19-15-3-1-2-4-15;11-10-8-3-2-7(13)5-6(8)1-4-9(10)12;11-9-4-7-3-8(13)2-1-6(7)5-10(9)12/h5,8,13H,1-4,6-7,9-10H2;7,9,15H,1-6,8,10H2;1,4H,2-3,5H2;4-5H,1-3H2
InChIKeySDDPYCGZVTZDMY-UHFFFAOYSA-N
XLogP14.03
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.62
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one (CID 160801679) is 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2c(ccc(Cl)c2Br)C1.O=C1CCc2c(ccc(Cl)c2COC2CCCC2)C1.O=C1CCc2cc(Cl)c(Br)cc2C1.O=C1CCc2cc(Cl)c(COC3CCCC3)cc2C1.
What is the InChIKey of 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is SDDPYCGZVTZDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19ClO2.2C10H8BrClO/c17-16-8-5-11-9-12(18)6-7-14(11)15(16)10-19-13-3-1-2-4-13;17-16-9-11-5-6-14(18)8-12(11)7-13(16)10-19-15-3-1-2-4-15;11-10-8-3-2-7(13)5-6(8)1-4-9(10)12;11-9-4-7-3-8(13)2-1-6(7)5-10(9)12/h5,8,13H,1-4,6-7,9-10H2;7,9,15H,1-6,8,10H2;1,4H,2-3,5H2;4-5H,1-3H2.
What are the key properties of 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one?
5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 1076.62 g/mol, XLogP of 14.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;7-bromo-6-chloro-3,4-dihydro-1H-naphthalen-2-one;6-chloro-5-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one;6-chloro-7-(cyclopentyloxymethyl)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 160801679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).