(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one

C17H13FO2 — CID 155930667

IUPAC(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one
SMILESCOc1ccc2c(c1)[C@@](F)(c1ccccc1)C(=O)C=C2
InChIInChI=1S/C17H13FO2/c1-20-14-9-7-12-8-10-16(19)17(18,15(12)11-14)13-5-3-2-4-6-13/h2-11H,1H3/t17-/m0/s1
InChIKeyJLFCOUFIMPQTDS-KRWDZBQOSA-N
MW268.29 g/mol
LogP3.50
Rot. Bonds2

About (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one

(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one (PubChem CID 155930667) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one.

Molecular Properties

Compound Name(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one
PubChem CID155930667
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one
SMILESCOc1ccc2c(c1)[C@@](F)(c1ccccc1)C(=O)C=C2
InChIInChI=1S/C17H13FO2/c1-20-14-9-7-12-8-10-16(19)17(18,15(12)11-14)13-5-3-2-4-6-13/h2-11H,1H3/t17-/m0/s1
InChIKeyJLFCOUFIMPQTDS-KRWDZBQOSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-fluoro-1-phenylnaphthalen-2-one
CID 155930456
5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one
CID 138963859
5-methoxy-3-methyl-3-phenyl-2-benzothiophen-1-one
CID 102475825
1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene
CID 165383709
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine
CID 125494447
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
4-methoxy-2-(1-phenylcyclopentyl)phenol
CID 68895977
6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118319966
1-inden-1-ylidene-6-methoxyindene
CID 85420344
2-benzyl-6-methoxy-4,4-diphenyl-1,3-benzodioxine
CID 56654259
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819

Frequently Asked Questions

What is the IUPAC name of (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one?
The IUPAC name of (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one (CID 155930667) is (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one.
What is the SMILES notation for (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one?
The canonical SMILES for (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one is COc1ccc2c(c1)[C@@](F)(c1ccccc1)C(=O)C=C2.
What is the InChIKey of (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one?
The InChIKey is JLFCOUFIMPQTDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13FO2/c1-20-14-9-7-12-8-10-16(19)17(18,15(12)11-14)13-5-3-2-4-6-13/h2-11H,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one?
(1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one has a molecular weight of 268.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-fluoro-7-methoxy-1-phenylnaphthalen-2-one is sourced from PubChem (CID 155930667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).