6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene

C24H23BrO3 — CID 146246663

IUPAC6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1cc(OCc2ccccc2)c(Br)cc1Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C24H23BrO3/c1-26-23-15-24(28-16-17-6-3-2-4-7-17)21(25)14-20(23)13-18-9-10-22-19(12-18)8-5-11-27-22/h2-4,6-7,9-10,12,14-15H,5,8,11,13,16H2,1H3
InChIKeyZMIWACQIRFQGCG-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.95
Rot. Bonds6

About 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene

6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 146246663) has the molecular formula C24H23BrO3 and a molecular weight of 439.35 g/mol. Its IUPAC name is 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID146246663
Molecular FormulaC24H23BrO3
Molecular Weight439.35 g/mol
Exact Mass438.08
IUPAC Name6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1cc(OCc2ccccc2)c(Br)cc1Cc1ccc2c(c1)CCCO2
InChIInChI=1S/C24H23BrO3/c1-26-23-15-24(28-16-17-6-3-2-4-7-17)21(25)14-20(23)13-18-9-10-22-19(12-18)8-5-11-27-22/h2-4,6-7,9-10,12,14-15H,5,8,11,13,16H2,1H3
InChIKeyZMIWACQIRFQGCG-UHFFFAOYSA-N
XLogP5.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-fluoro-4-phenylmethoxyphenyl)methyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 134498468
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
1-benzyl-4-bromo-2,5-dimethoxybenzene
CID 90014270
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-4-phenylmethoxybenzaldehyde
CID 86709347
2-(3,4-dihydro-2H-chromen-6-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110771122
1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
CID 59243503
7-benzyl-5-phenylmethoxy-3,4-dihydro-2H-chromene
CID 144528197
6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 123448415

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene (CID 146246663) is 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene is COc1cc(OCc2ccccc2)c(Br)cc1Cc1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is ZMIWACQIRFQGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrO3/c1-26-23-15-24(28-16-17-6-3-2-4-7-17)21(25)14-20(23)13-18-9-10-22-19(12-18)8-5-11-27-22/h2-4,6-7,9-10,12,14-15H,5,8,11,13,16H2,1H3.
What are the key properties of 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 439.35 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 146246663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).