1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene

C25H20Br2O2 — CID 156583433

IUPAC1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene
SMILESCOc1ccc(Br)cc1C(c1cc(Br)ccc1OC)c1cccc2ccccc12
InChIInChI=1S/C25H20Br2O2/c1-28-23-12-10-17(26)14-21(23)25(22-15-18(27)11-13-24(22)29-2)20-9-5-7-16-6-3-4-8-19(16)20/h3-15,25H,1-2H3
InChIKeyNBBUYKUNXSYTDP-UHFFFAOYSA-N
MW512.24 g/mol
LogP7.56
Rot. Bonds5

About 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene

1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene (PubChem CID 156583433) has the molecular formula C25H20Br2O2 and a molecular weight of 512.24 g/mol. Its IUPAC name is 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene
PubChem CID156583433
Molecular FormulaC25H20Br2O2
Molecular Weight512.24 g/mol
Exact Mass509.98
IUPAC Name1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene
SMILESCOc1ccc(Br)cc1C(c1cc(Br)ccc1OC)c1cccc2ccccc12
InChIInChI=1S/C25H20Br2O2/c1-28-23-12-10-17(26)14-21(23)25(22-15-18(27)11-13-24(22)29-2)20-9-5-7-16-6-3-4-8-19(16)20/h3-15,25H,1-2H3
InChIKeyNBBUYKUNXSYTDP-UHFFFAOYSA-N
XLogP7.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.24
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
CID 115369767
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105301219
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 4085464
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205

Frequently Asked Questions

What is the IUPAC name of 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene?
The IUPAC name of 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene (CID 156583433) is 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene.
What is the SMILES notation for 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene?
The canonical SMILES for 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene is COc1ccc(Br)cc1C(c1cc(Br)ccc1OC)c1cccc2ccccc12.
What is the InChIKey of 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene?
The InChIKey is NBBUYKUNXSYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Br2O2/c1-28-23-12-10-17(26)14-21(23)25(22-15-18(27)11-13-24(22)29-2)20-9-5-7-16-6-3-4-8-19(16)20/h3-15,25H,1-2H3.
What are the key properties of 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene?
1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene has a molecular weight of 512.24 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene is sourced from PubChem (CID 156583433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).