1-(1-bromoethoxymethyl)-4-methoxybenzene

C10H13BrO2 — CID 56989997

IUPAC1-(1-bromoethoxymethyl)-4-methoxybenzene
SMILESCOc1ccc(COC(C)Br)cc1
InChIInChI=1S/C10H13BrO2/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyZETRIOQUNLXLHX-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.95
Rot. Bonds4

About 1-(1-bromoethoxymethyl)-4-methoxybenzene

1-(1-bromoethoxymethyl)-4-methoxybenzene (PubChem CID 56989997) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(1-bromoethoxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-bromoethoxymethyl)-4-methoxybenzene
PubChem CID56989997
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(1-bromoethoxymethyl)-4-methoxybenzene
SMILESCOc1ccc(COC(C)Br)cc1
InChIInChI=1S/C10H13BrO2/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyZETRIOQUNLXLHX-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
CID 146253972
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
1-[[(2S)-1-iodo-3-methylbutan-2-yl]oxymethyl]-4-methoxybenzene
CID 101441058
(4-methoxyphenyl)methyl hypobromite
CID 166766888
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethoxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(1-bromoethoxymethyl)-4-methoxybenzene (CID 56989997) is 1-(1-bromoethoxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1-bromoethoxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(1-bromoethoxymethyl)-4-methoxybenzene is COc1ccc(COC(C)Br)cc1.
What is the InChIKey of 1-(1-bromoethoxymethyl)-4-methoxybenzene?
The InChIKey is ZETRIOQUNLXLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(1-bromoethoxymethyl)-4-methoxybenzene?
1-(1-bromoethoxymethyl)-4-methoxybenzene has a molecular weight of 245.12 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethoxymethyl)-4-methoxybenzene is sourced from PubChem (CID 56989997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).