5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene

C15H15BrO3 — CID 71601563

IUPAC5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
SMILESCOc1cc(Br)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C15H15BrO3/c1-17-13-8-12(16)9-14(18-2)15(13)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyRPFUONAJZSPXGD-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.05
Rot. Bonds5

About 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene (PubChem CID 71601563) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene.

Molecular Properties

Compound Name5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
PubChem CID71601563
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
SMILESCOc1cc(Br)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C15H15BrO3/c1-17-13-8-12(16)9-14(18-2)15(13)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyRPFUONAJZSPXGD-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
CID 146277743
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001
2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
CID 164893025
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
6-bromo-8-methoxy-4-phenylmethoxyquinoline
CID 178032922
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 17156891
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene?
The IUPAC name of 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene (CID 71601563) is 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene.
What is the SMILES notation for 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene?
The canonical SMILES for 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene is COc1cc(Br)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene?
The InChIKey is RPFUONAJZSPXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-17-13-8-12(16)9-14(18-2)15(13)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene?
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene has a molecular weight of 323.19 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene is sourced from PubChem (CID 71601563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).