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

C15H15BrO3 — CID 11186357

IUPAC2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
SMILESCOc1cc(OCc2ccccc2)cc(OC)c1Br
InChIInChI=1S/C15H15BrO3/c1-17-13-8-12(9-14(18-2)15(13)16)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyLRYGQMJKMLZKQJ-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.05
Rot. Bonds5

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

2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene (PubChem CID 11186357) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene.

Molecular Properties

Compound Name2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
PubChem CID11186357
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
SMILESCOc1cc(OCc2ccccc2)cc(OC)c1Br
InChIInChI=1S/C15H15BrO3/c1-17-13-8-12(9-14(18-2)15(13)16)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyLRYGQMJKMLZKQJ-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

Analyze 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 123516675
CID 123516675
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
7-methoxy-5-phenylmethoxyindol-2-one
CID 123135354
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
3-methoxy-5-phenylmethoxyaniline
CID 12658785
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene?
The IUPAC name of 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene (CID 11186357) is 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene.
What is the SMILES notation for 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene?
The canonical SMILES for 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene is COc1cc(OCc2ccccc2)cc(OC)c1Br.
What is the InChIKey of 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene?
The InChIKey is LRYGQMJKMLZKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-17-13-8-12(9-14(18-2)15(13)16)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene?
2-bromo-1,3-dimethoxy-5-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 2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene is sourced from PubChem (CID 11186357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).