3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol

C11H15BrO2 — CID 117400911

IUPAC3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1ccc(CCCO)cc1Br
InChIInChI=1S/C11H15BrO2/c1-14-8-10-5-4-9(3-2-6-13)7-11(10)12/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyPQFBJFXBDNIECF-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.52
Rot. Bonds5

About 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol

3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol (PubChem CID 117400911) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
PubChem CID117400911
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
SMILESCOCc1ccc(CCCO)cc1Br
InChIInChI=1S/C11H15BrO2/c1-14-8-10-5-4-9(3-2-6-13)7-11(10)12/h4-5,7,13H,2-3,6,8H2,1H3
InChIKeyPQFBJFXBDNIECF-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol (CID 117400911) is 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol is COCc1ccc(CCCO)cc1Br.
What is the InChIKey of 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol?
The InChIKey is PQFBJFXBDNIECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-14-8-10-5-4-9(3-2-6-13)7-11(10)12/h4-5,7,13H,2-3,6,8H2,1H3.
What are the key properties of 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol?
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol has a molecular weight of 259.14 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117400911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).