2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C17H14Cl2O — CID 63399483

IUPAC2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2O/c18-15-8-5-11(10-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-5,8,10,13H,6-7,9H2
InChIKeyQYOWFSRXIFMKFL-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.98
Rot. Bonds2

About 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 63399483) has the molecular formula C17H14Cl2O and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID63399483
Molecular FormulaC17H14Cl2O
Molecular Weight305.20 g/mol
Exact Mass304.04
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2O/c18-15-8-5-11(10-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-5,8,10,13H,6-7,9H2
InChIKeyQYOWFSRXIFMKFL-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 63399483) is 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QYOWFSRXIFMKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O/c18-15-8-5-11(10-16(15)19)9-13-7-6-12-3-1-2-4-14(12)17(13)20/h1-5,8,10,13H,6-7,9H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 305.20 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 63399483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).