4-bromo-1-(ethoxymethyl)-2-methylbenzene

C10H13BrO — CID 117219809

IUPAC4-bromo-1-(ethoxymethyl)-2-methylbenzene
SMILESCCOCc1ccc(Br)cc1C
InChIInChI=1S/C10H13BrO/c1-3-12-7-9-4-5-10(11)6-8(9)2/h4-6H,3,7H2,1-2H3
InChIKeyRYCDZBREVGQLHR-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.29
Rot. Bonds3

About 4-bromo-1-(ethoxymethyl)-2-methylbenzene

4-bromo-1-(ethoxymethyl)-2-methylbenzene (PubChem CID 117219809) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 4-bromo-1-(ethoxymethyl)-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-(ethoxymethyl)-2-methylbenzene
PubChem CID117219809
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name4-bromo-1-(ethoxymethyl)-2-methylbenzene
SMILESCCOCc1ccc(Br)cc1C
InChIInChI=1S/C10H13BrO/c1-3-12-7-9-4-5-10(11)6-8(9)2/h4-6H,3,7H2,1-2H3
InChIKeyRYCDZBREVGQLHR-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 20595379
4-bromo-1-(ethoxymethyl)-2-methoxybenzene
CID 117219856
[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane
CID 87969572
4-bromo-1-(2-methoxypropan-2-yloxymethyl)-2-methylbenzene
CID 143914148
1-(ethoxymethyl)-2-methyl-4-propan-2-yloxybenzene
CID 129189938
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
2-[(4-bromo-2-methylphenyl)methoxy]phenol
CID 117219489
ethyl 2-bromo-3-(4-bromo-2-methylphenyl)propanoate
CID 83197105
3-bromo-4-(ethoxymethyl)phenol
CID 117219830
1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 143812957
4-bromo-1-(2-iodoethyl)-2-methylbenzene
CID 66577923

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(ethoxymethyl)-2-methylbenzene?
The IUPAC name of 4-bromo-1-(ethoxymethyl)-2-methylbenzene (CID 117219809) is 4-bromo-1-(ethoxymethyl)-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-(ethoxymethyl)-2-methylbenzene?
The canonical SMILES for 4-bromo-1-(ethoxymethyl)-2-methylbenzene is CCOCc1ccc(Br)cc1C.
What is the InChIKey of 4-bromo-1-(ethoxymethyl)-2-methylbenzene?
The InChIKey is RYCDZBREVGQLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-3-12-7-9-4-5-10(11)6-8(9)2/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-bromo-1-(ethoxymethyl)-2-methylbenzene?
4-bromo-1-(ethoxymethyl)-2-methylbenzene has a molecular weight of 229.12 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(ethoxymethyl)-2-methylbenzene is sourced from PubChem (CID 117219809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).