5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene

C24H25BrO2 — CID 165177480

IUPAC5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene
SMILESCC(C)c1c(OCc2ccccc2)cc(CBr)cc1OCc1ccccc1
InChIInChI=1S/C24H25BrO2/c1-18(2)24-22(26-16-19-9-5-3-6-10-19)13-21(15-25)14-23(24)27-17-20-11-7-4-8-12-20/h3-14,18H,15-17H2,1-2H3
InChIKeyMISFHRAYWWNQNY-UHFFFAOYSA-N
MW425.37 g/mol
LogP6.86
Rot. Bonds8

About 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene

5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene (PubChem CID 165177480) has the molecular formula C24H25BrO2 and a molecular weight of 425.37 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene
PubChem CID165177480
Molecular FormulaC24H25BrO2
Molecular Weight425.37 g/mol
Exact Mass424.10
IUPAC Name5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene
SMILESCC(C)c1c(OCc2ccccc2)cc(CBr)cc1OCc1ccccc1
InChIInChI=1S/C24H25BrO2/c1-18(2)24-22(26-16-19-9-5-3-6-10-19)13-21(15-25)14-23(24)27-17-20-11-7-4-8-12-20/h3-14,18H,15-17H2,1-2H3
InChIKeyMISFHRAYWWNQNY-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.37
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene
CID 73333847
3-[2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]furan
CID 175814090
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-phenylmethoxybenzene
CID 22875802
2-[(E)-2-[3,5-bis(phenylmethoxy)-4-propan-2-ylphenyl]ethenyl]-6-methylpyridine
CID 156774936
1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene?
The IUPAC name of 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene (CID 165177480) is 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene.
What is the SMILES notation for 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene?
The canonical SMILES for 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene is CC(C)c1c(OCc2ccccc2)cc(CBr)cc1OCc1ccccc1.
What is the InChIKey of 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene?
The InChIKey is MISFHRAYWWNQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrO2/c1-18(2)24-22(26-16-19-9-5-3-6-10-19)13-21(15-25)14-23(24)27-17-20-11-7-4-8-12-20/h3-14,18H,15-17H2,1-2H3.
What are the key properties of 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene?
5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene has a molecular weight of 425.37 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene is sourced from PubChem (CID 165177480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).