3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene

C20H16BrFO — CID 135067953

IUPAC3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene
SMILESCc1c(OC/C=C/c2ccc(F)cc2)c(Br)cc2ccccc12
InChIInChI=1S/C20H16BrFO/c1-14-18-7-3-2-6-16(18)13-19(21)20(14)23-12-4-5-15-8-10-17(22)11-9-15/h2-11,13H,12H2,1H3/b5-4+
InChIKeyFKHKFLXLHPIMEB-SNAWJCMRSA-N
MW371.25 g/mol
LogP6.14
Rot. Bonds4

About 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene

3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene (PubChem CID 135067953) has the molecular formula C20H16BrFO and a molecular weight of 371.25 g/mol. Its IUPAC name is 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene.

Molecular Properties

Compound Name3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene
PubChem CID135067953
Molecular FormulaC20H16BrFO
Molecular Weight371.25 g/mol
Exact Mass370.04
IUPAC Name3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene
SMILESCc1c(OC/C=C/c2ccc(F)cc2)c(Br)cc2ccccc12
InChIInChI=1S/C20H16BrFO/c1-14-18-7-3-2-6-16(18)13-19(21)20(14)23-12-4-5-15-8-10-17(22)11-9-15/h2-11,13H,12H2,1H3/b5-4+
InChIKeyFKHKFLXLHPIMEB-SNAWJCMRSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.25
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
2-Bromo-3-methoxynaphthalene
CID 13351910
Phenanthrene, 6-bromo-1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS,10aS)-
CID 484412
(R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene
CID 10839989
2-Bromo-6-ethoxynaphthalene
CID 236858
2-Benzyloxy-1-bromonaphthalene
CID 378883
2-Bromo-6-butoxynaphthalene
CID 3798414
7-(Benzyloxy)-6-bromonaphthalen-2-ol
CID 74892820
[4-(3-Bromo-2-methoxynaphthalen-1-yl)-3-methoxynaphthalen-2-yl]methanol
CID 1818744
1-Benzyl-4-hexyloxy-naphthalene
CID 10245349
12-(3-bromophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthene-11-thione
CID 71540698
2-(Allyloxy)-6-bromonaphthalene
CID 272210

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene?
The IUPAC name of 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene (CID 135067953) is 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene.
What is the SMILES notation for 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene?
The canonical SMILES for 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene is Cc1c(OC/C=C/c2ccc(F)cc2)c(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene?
The InChIKey is FKHKFLXLHPIMEB-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H16BrFO/c1-14-18-7-3-2-6-16(18)13-19(21)20(14)23-12-4-5-15-8-10-17(22)11-9-15/h2-11,13H,12H2,1H3/b5-4+.
What are the key properties of 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene?
3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene has a molecular weight of 371.25 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene is sourced from PubChem (CID 135067953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).