5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene

C15H15BrO2 — CID 67273337

IUPAC5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
SMILESCOc1cc(Br)cc(C)c1OCc1ccccc1
InChIInChI=1S/C15H15BrO2/c1-11-8-13(16)9-14(17-2)15(11)18-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyPXOVDNOJALHDEY-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.35
Rot. Bonds4

About 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene

5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene (PubChem CID 67273337) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
PubChem CID67273337
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
SMILESCOc1cc(Br)cc(C)c1OCc1ccccc1
InChIInChI=1S/C15H15BrO2/c1-11-8-13(16)9-14(17-2)15(11)18-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyPXOVDNOJALHDEY-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
5-bromo-1-(chloromethyl)-3-methoxy-2-phenylmethoxybenzene
CID 146277743
4-bromo-2-methyl-6-phenylmethoxyaniline
CID 58826330
2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
CID 164893025
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001
6-bromo-8-methoxy-4-phenylmethoxyquinoline
CID 178032922
N,N-dibenzyl-4-bromo-2-methoxy-6-methylaniline
CID 155139059
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 17156891
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19183354

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene?
The IUPAC name of 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene (CID 67273337) is 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene is COc1cc(Br)cc(C)c1OCc1ccccc1.
What is the InChIKey of 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene?
The InChIKey is PXOVDNOJALHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-11-8-13(16)9-14(17-2)15(11)18-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene?
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene has a molecular weight of 307.19 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 67273337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).