6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one

C17H14ClFO — CID 158261161

IUPAC6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(Cl)c(Cc3ccc(F)cc3)cc2C1
InChIInChI=1S/C17H14ClFO/c18-17-10-12-3-6-16(20)9-13(12)8-14(17)7-11-1-4-15(19)5-2-11/h1-2,4-5,8,10H,3,6-7,9H2
InChIKeyLZJJSAKZPNDLEF-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.13
Rot. Bonds2

About 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one

6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 158261161) has the molecular formula C17H14ClFO and a molecular weight of 288.75 g/mol. Its IUPAC name is 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one
PubChem CID158261161
Molecular FormulaC17H14ClFO
Molecular Weight288.75 g/mol
Exact Mass288.07
IUPAC Name6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(Cl)c(Cc3ccc(F)cc3)cc2C1
InChIInChI=1S/C17H14ClFO/c18-17-10-12-3-6-16(20)9-13(12)8-14(17)7-11-1-4-15(19)5-2-11/h1-2,4-5,8,10H,3,6-7,9H2
InChIKeyLZJJSAKZPNDLEF-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one (CID 158261161) is 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cc(Cl)c(Cc3ccc(F)cc3)cc2C1.
What is the InChIKey of 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is LZJJSAKZPNDLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO/c18-17-10-12-3-6-16(20)9-13(12)8-14(17)7-11-1-4-15(19)5-2-11/h1-2,4-5,8,10H,3,6-7,9H2.
What are the key properties of 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one?
6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 288.75 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 158261161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).