7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene

C21H21FO — CID 151289054

IUPAC7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene
SMILESCC1=CCCc2cc(OC/C(C)=C/c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H21FO/c1-15(12-17-6-8-19(22)9-7-17)14-23-20-10-11-21-16(2)4-3-5-18(21)13-20/h4,6-13H,3,5,14H2,1-2H3/b15-12+
InChIKeyOAAOPURHVSJSLK-NTCAYCPXSA-N
MW308.40 g/mol
LogP5.66
Rot. Bonds4

About 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene

7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene (PubChem CID 151289054) has the molecular formula C21H21FO and a molecular weight of 308.40 g/mol. Its IUPAC name is 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene
PubChem CID151289054
Molecular FormulaC21H21FO
Molecular Weight308.40 g/mol
Exact Mass308.16
IUPAC Name7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene
SMILESCC1=CCCc2cc(OC/C(C)=C/c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H21FO/c1-15(12-17-6-8-19(22)9-7-17)14-23-20-10-11-21-16(2)4-3-5-18(21)13-20/h4,6-13H,3,5,14H2,1-2H3/b15-12+
InChIKeyOAAOPURHVSJSLK-NTCAYCPXSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
4-[2-(4-fluorophenyl)ethyl]-7-methoxy-1,2-dihydronaphthalene
CID 172732247
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 10866732
6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 5266143
3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole
CID 142721259
1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
CID 145145083
(E)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbut-2-enoic acid
CID 55236131
(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol
CID 159457366
3-methyl-1-[[7-(3-methyl-2-oxobut-3-enoxy)-9H-fluoren-2-yl]oxy]but-3-en-2-one
CID 121338847
N-[(Z)-1-(4-fluorophenoxy)but-2-en-2-yl]propan-2-imine
CID 145145018
6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5266200

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene?
The IUPAC name of 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene (CID 151289054) is 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene is CC1=CCCc2cc(OC/C(C)=C/c3ccc(F)cc3)ccc21.
What is the InChIKey of 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene?
The InChIKey is OAAOPURHVSJSLK-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H21FO/c1-15(12-17-6-8-19(22)9-7-17)14-23-20-10-11-21-16(2)4-3-5-18(21)13-20/h4,6-13H,3,5,14H2,1-2H3/b15-12+.
What are the key properties of 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene?
7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene has a molecular weight of 308.40 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enoxy]-4-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 151289054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).