1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene

C10H13BrO3 — CID 10989047

IUPAC1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
SMILESCOCc1c(OC)ccc(Br)c1OC
InChIInChI=1S/C10H13BrO3/c1-12-6-7-9(13-2)5-4-8(11)10(7)14-3/h4-5H,6H2,1-3H3
InChIKeyKYTGISJOVDCTMG-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.61
Rot. Bonds4

About 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene

1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene (PubChem CID 10989047) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
PubChem CID10989047
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
SMILESCOCc1c(OC)ccc(Br)c1OC
InChIInChI=1S/C10H13BrO3/c1-12-6-7-9(13-2)5-4-8(11)10(7)14-3/h4-5H,6H2,1-3H3
InChIKeyKYTGISJOVDCTMG-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389312
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
CID 11740051
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde
CID 174699052
2-[1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449951

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene?
The IUPAC name of 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene (CID 10989047) is 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene.
What is the SMILES notation for 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene?
The canonical SMILES for 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene is COCc1c(OC)ccc(Br)c1OC.
What is the InChIKey of 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene?
The InChIKey is KYTGISJOVDCTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-12-6-7-9(13-2)5-4-8(11)10(7)14-3/h4-5H,6H2,1-3H3.
What are the key properties of 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene?
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene has a molecular weight of 261.11 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene is sourced from PubChem (CID 10989047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).