(1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone

C18H15FO — CID 102255483

IUPAC(1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone
SMILESCc1ccc2c(c1)C(F)=C(C(=O)c1ccccc1)CC2
InChIInChI=1S/C18H15FO/c1-12-7-8-13-9-10-15(17(19)16(13)11-12)18(20)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyNHDNBHSEIQZLCB-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.50
Rot. Bonds2

About (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone

(1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone (PubChem CID 102255483) has the molecular formula C18H15FO and a molecular weight of 266.31 g/mol. Its IUPAC name is (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone
PubChem CID102255483
Molecular FormulaC18H15FO
Molecular Weight266.31 g/mol
Exact Mass266.11
IUPAC Name(1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone
SMILESCc1ccc2c(c1)C(F)=C(C(=O)c1ccccc1)CC2
InChIInChI=1S/C18H15FO/c1-12-7-8-13-9-10-15(17(19)16(13)11-12)18(20)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyNHDNBHSEIQZLCB-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057846
[6-methyl-3-(2-phenylethynyl)-1H-inden-2-yl]-phenylmethanone
CID 24874262
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 10537791
[6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone
CID 59935298
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 91190227
7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82075337
6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one
CID 169409882
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
diphenylmethanone;ethane;toluene
CID 157406780

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone?
The IUPAC name of (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone (CID 102255483) is (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone.
What is the SMILES notation for (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone?
The canonical SMILES for (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone is Cc1ccc2c(c1)C(F)=C(C(=O)c1ccccc1)CC2.
What is the InChIKey of (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone?
The InChIKey is NHDNBHSEIQZLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO/c1-12-7-8-13-9-10-15(17(19)16(13)11-12)18(20)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3.
What are the key properties of (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone?
(1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone has a molecular weight of 266.31 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone is sourced from PubChem (CID 102255483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).