2-[3-bromo-4-(methoxymethyl)phenyl]ethanol

C10H13BrO2 — CID 117364056

IUPAC2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccc(CCO)cc1Br
InChIInChI=1S/C10H13BrO2/c1-13-7-9-3-2-8(4-5-12)6-10(9)11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyKJVSRQDKILFREE-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol

2-[3-bromo-4-(methoxymethyl)phenyl]ethanol (PubChem CID 117364056) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
PubChem CID117364056
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccc(CCO)cc1Br
InChIInChI=1S/C10H13BrO2/c1-13-7-9-3-2-8(4-5-12)6-10(9)11/h2-3,6,12H,4-5,7H2,1H3
InChIKeyKJVSRQDKILFREE-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
CID 83901605
[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol
CID 172654460
N-[[3-bromo-4-(methoxymethyl)phenyl]methyl]ethanamine
CID 102772329
2-[5-bromo-2-(methoxymethyl)phenyl]ethanol
CID 117364057
1-bromo-4-(bromomethyl)-2-(methoxymethyl)benzene
CID 167483529
2-bromo-4-[[3-bromo-4-(methoxymethyl)phenyl]disulfanyl]-1-(methoxymethyl)benzene
CID 57296423
2-[4-[2-(methoxymethyl)-4-methylphenyl]-3-methylphenyl]ethanol
CID 145122544
methyl 2-[4-bromo-3-(methoxymethyl)phenyl]acetate
CID 163292027
2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene
CID 91883137
3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid
CID 117329480
ethyl 3-bromo-4-(methoxymethyl)benzoate
CID 81430155

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol (CID 117364056) is 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol is COCc1ccc(CCO)cc1Br.
What is the InChIKey of 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol?
The InChIKey is KJVSRQDKILFREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-13-7-9-3-2-8(4-5-12)6-10(9)11/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol?
2-[3-bromo-4-(methoxymethyl)phenyl]ethanol has a molecular weight of 245.12 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117364056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).