(2-bromo-5-ethoxy-4-methoxyphenyl)methanol

C10H13BrO3 — CID 893488

IUPAC(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
SMILESCCOc1cc(CO)c(Br)cc1OC
InChIInChI=1S/C10H13BrO3/c1-3-14-10-4-7(6-12)8(11)5-9(10)13-2/h4-5,12H,3,6H2,1-2H3
InChIKeyHGPNJVYGXHMPHX-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.35
Rot. Bonds4

About (2-bromo-5-ethoxy-4-methoxyphenyl)methanol

(2-bromo-5-ethoxy-4-methoxyphenyl)methanol (PubChem CID 893488) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is (2-bromo-5-ethoxy-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
PubChem CID893488
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
SMILESCCOc1cc(CO)c(Br)cc1OC
InChIInChI=1S/C10H13BrO3/c1-3-14-10-4-7(6-12)8(11)5-9(10)13-2/h4-5,12H,3,6H2,1-2H3
InChIKeyHGPNJVYGXHMPHX-UHFFFAOYSA-N
XLogP2.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-ethoxy-4-methoxyphenyl)methanol?
The IUPAC name of (2-bromo-5-ethoxy-4-methoxyphenyl)methanol (CID 893488) is (2-bromo-5-ethoxy-4-methoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-5-ethoxy-4-methoxyphenyl)methanol?
The canonical SMILES for (2-bromo-5-ethoxy-4-methoxyphenyl)methanol is CCOc1cc(CO)c(Br)cc1OC.
What is the InChIKey of (2-bromo-5-ethoxy-4-methoxyphenyl)methanol?
The InChIKey is HGPNJVYGXHMPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-3-14-10-4-7(6-12)8(11)5-9(10)13-2/h4-5,12H,3,6H2,1-2H3.
What are the key properties of (2-bromo-5-ethoxy-4-methoxyphenyl)methanol?
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol has a molecular weight of 261.11 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-ethoxy-4-methoxyphenyl)methanol is sourced from PubChem (CID 893488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).