5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C17H14ClFO2 — CID 115982930

IUPAC5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCc3cccc(F)c3Cl)cccc21
InChIInChI=1S/C17H14ClFO2/c18-17-11(4-1-7-14(17)19)10-21-16-9-3-5-12-13(16)6-2-8-15(12)20/h1,3-5,7,9H,2,6,8,10H2
InChIKeyKWPANOSQJKVOTF-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.58
Rot. Bonds3

About 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 115982930) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID115982930
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCc3cccc(F)c3Cl)cccc21
InChIInChI=1S/C17H14ClFO2/c18-17-11(4-1-7-14(17)19)10-21-16-9-3-5-12-13(16)6-2-8-15(12)20/h1,3-5,7,9H,2,6,8,10H2
InChIKeyKWPANOSQJKVOTF-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345
4-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705375
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705420
5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456156
5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 123450059
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
5-[(2-bromo-5-iodophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 134269995
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile
CID 103759988
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 115982930) is 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCc3cccc(F)c3Cl)cccc21.
What is the InChIKey of 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KWPANOSQJKVOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-17-11(4-1-7-14(17)19)10-21-16-9-3-5-12-13(16)6-2-8-15(12)20/h1,3-5,7,9H,2,6,8,10H2.
What are the key properties of 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 304.75 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 115982930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).