1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole

C30H28BrNO3 — CID 141041248

IUPAC1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole
SMILESCOc1cc2c(cc1OCc1ccccc1)C(c1ccc(OCCn3cccc3)cc1)=C(Br)CC2
InChIInChI=1S/C30H28BrNO3/c1-33-28-19-24-11-14-27(31)30(26(24)20-29(28)35-21-22-7-3-2-4-8-22)23-9-12-25(13-10-23)34-18-17-32-15-5-6-16-32/h2-10,12-13,15-16,19-20H,11,14,17-18,21H2,1H3
InChIKeyYLKOWGJQMYGDRS-UHFFFAOYSA-N
MW530.46 g/mol
LogP7.26
Rot. Bonds9

About 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole

1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole (PubChem CID 141041248) has the molecular formula C30H28BrNO3 and a molecular weight of 530.46 g/mol. Its IUPAC name is 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole
PubChem CID141041248
Molecular FormulaC30H28BrNO3
Molecular Weight530.46 g/mol
Exact Mass529.13
IUPAC Name1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole
SMILESCOc1cc2c(cc1OCc1ccccc1)C(c1ccc(OCCn3cccc3)cc1)=C(Br)CC2
InChIInChI=1S/C30H28BrNO3/c1-33-28-19-24-11-14-27(31)30(26(24)20-29(28)35-21-22-7-3-2-4-8-22)23-9-12-25(13-10-23)34-18-17-32-15-5-6-16-32/h2-10,12-13,15-16,19-20H,11,14,17-18,21H2,1H3
InChIKeyYLKOWGJQMYGDRS-UHFFFAOYSA-N
XLogP7.26
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.46
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethanol;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;methane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
CID 159928344
1-[2-[4-(2-bromo-7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;bromomethylbenzene;1-[2-(4-bromophenoxy)ethyl]pyrrolidine;6,7-dihydroxy-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;7-hydroxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;iodomethane;7-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one;1-[2-[4-(7-methoxy-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-[2-[4-(7-methoxy-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
CID 157438458
3-bromo-4-(4-methoxysulfanylphenyl)-7-phenylmethoxy-1,2-dihydronaphthalene
CID 134579928
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
1-[4-(2-bromo-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)-3-methoxyphenyl]piperazine
CID 177318989
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
6,7-dimethoxy-2-[1-[3-(4-phenylmethoxyphenoxy)propyl]piperidin-3-yl]-3,4-dihydroisoquinolin-1-one
CID 10864385
10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine
CID 59471521
5-methoxy-2-methyl-6-phenylmethoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,3-dihydroisoindole;hydrochloride
CID 45047887
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole?
The IUPAC name of 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole (CID 141041248) is 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole.
What is the SMILES notation for 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole?
The canonical SMILES for 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole is COc1cc2c(cc1OCc1ccccc1)C(c1ccc(OCCn3cccc3)cc1)=C(Br)CC2.
What is the InChIKey of 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole?
The InChIKey is YLKOWGJQMYGDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BrNO3/c1-33-28-19-24-11-14-27(31)30(26(24)20-29(28)35-21-22-7-3-2-4-8-22)23-9-12-25(13-10-23)34-18-17-32-15-5-6-16-32/h2-10,12-13,15-16,19-20H,11,14,17-18,21H2,1H3.
What are the key properties of 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole?
1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole has a molecular weight of 530.46 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-bromo-6-methoxy-7-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrole is sourced from PubChem (CID 141041248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).