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

C17H14ClFO2 — CID 107881278

IUPAC6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCc3ccc(Cl)c(F)c3)ccc21
InChIInChI=1S/C17H14ClFO2/c18-15-7-4-11(8-16(15)19)10-21-13-5-6-14-12(9-13)2-1-3-17(14)20/h4-9H,1-3,10H2
InChIKeyZDZSESLAHRRIEP-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.58
Rot. Bonds3

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

6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 107881278) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID107881278
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCc3ccc(Cl)c(F)c3)ccc21
InChIInChI=1S/C17H14ClFO2/c18-15-7-4-11(8-16(15)19)10-21-13-5-6-14-12(9-13)2-1-3-17(14)20/h4-9H,1-3,10H2
InChIKeyZDZSESLAHRRIEP-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-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114849263
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 103981660
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enoic acid
CID 155168329
5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684090
(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide
CID 155181144
6-[(3,4-difluorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 69038466
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
(NE)-N-[6-[(4-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10590433
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 107881278) is 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCc3ccc(Cl)c(F)c3)ccc21.
What is the InChIKey of 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZDZSESLAHRRIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-15-7-4-11(8-16(15)19)10-21-13-5-6-14-12(9-13)2-1-3-17(14)20/h4-9H,1-3,10H2.
What are the key properties of 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[(4-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 6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 107881278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).