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

C17H14ClFO2 — CID 114849263

IUPAC6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCc3ccc(Cl)cc3F)ccc21
InChIInChI=1S/C17H14ClFO2/c18-13-5-4-12(16(19)9-13)10-21-14-6-7-15-11(8-14)2-1-3-17(15)20/h4-9H,1-3,10H2
InChIKeyAQSNMDKSSLFBLQ-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.58
Rot. Bonds3

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

6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 114849263) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID114849263
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCc3ccc(Cl)cc3F)ccc21
InChIInChI=1S/C17H14ClFO2/c18-13-5-4-12(16(19)9-13)10-21-14-6-7-15-11(8-14)2-1-3-17(15)20/h4-9H,1-3,10H2
InChIKeyAQSNMDKSSLFBLQ-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

6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 107881278
6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 103981660
5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684090
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
5-[(2-bromo-3-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684074
6-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 109415767
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 154798923
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 114849263) is 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCc3ccc(Cl)cc3F)ccc21.
What is the InChIKey of 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is AQSNMDKSSLFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-13-5-4-12(16(19)9-13)10-21-14-6-7-15-11(8-14)2-1-3-17(15)20/h4-9H,1-3,10H2.
What are the key properties of 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[(4-chloro-2-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 6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 114849263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).