7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one

C17H14BrFO2 — CID 155103539

IUPAC7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(OCc3ccccc3)c(Br)c(F)c2C1
InChIInChI=1S/C17H14BrFO2/c18-16-15(21-10-11-4-2-1-3-5-11)8-12-6-7-13(20)9-14(12)17(16)19/h1-5,8H,6-7,9-10H2
InChIKeyQTFPAWNCTVDAJV-UHFFFAOYSA-N
MW349.20 g/mol
LogP4.22
Rot. Bonds3

About 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one

7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 155103539) has the molecular formula C17H14BrFO2 and a molecular weight of 349.20 g/mol. Its IUPAC name is 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID155103539
Molecular FormulaC17H14BrFO2
Molecular Weight349.20 g/mol
Exact Mass348.02
IUPAC Name7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(OCc3ccccc3)c(Br)c(F)c2C1
InChIInChI=1S/C17H14BrFO2/c18-16-15(21-10-11-4-2-1-3-5-11)8-12-6-7-13(20)9-14(12)17(16)19/h1-5,8H,6-7,9-10H2
InChIKeyQTFPAWNCTVDAJV-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-7-fluoro-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 118904303
2-[7-bromo-8-fluoro-6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 175505130
[(2R)-5-bromo-4-fluoro-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
CID 168884576
2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one
CID 66751194
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one
CID 141228304
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
3-[(5-bromo-2-fluoro-4-phenylmethoxyphenyl)methyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 134498468
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
3-bicyclo[4.2.0]octa-1(6),2,4-trienyl-(3-bromo-4-phenylmethoxyphenyl)methanol
CID 134498894
4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene
CID 175348033

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one (CID 155103539) is 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cc(OCc3ccccc3)c(Br)c(F)c2C1.
What is the InChIKey of 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is QTFPAWNCTVDAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFO2/c18-16-15(21-10-11-4-2-1-3-5-11)8-12-6-7-13(20)9-14(12)17(16)19/h1-5,8H,6-7,9-10H2.
What are the key properties of 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one?
7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 349.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-fluoro-6-phenylmethoxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 155103539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).