1-[4-(bromomethyl)phenoxy]propan-1-ol

C10H13BrO2 — CID 139754886

IUPAC1-[4-(bromomethyl)phenoxy]propan-1-ol
SMILESCCC(O)Oc1ccc(CBr)cc1
InChIInChI=1S/C10H13BrO2/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-6,10,12H,2,7H2,1H3
InChIKeyRIFMPTIAQXDFDJ-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.69
Rot. Bonds4

About 1-[4-(bromomethyl)phenoxy]propan-1-ol

1-[4-(bromomethyl)phenoxy]propan-1-ol (PubChem CID 139754886) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenoxy]propan-1-ol
PubChem CID139754886
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-[4-(bromomethyl)phenoxy]propan-1-ol
SMILESCCC(O)Oc1ccc(CBr)cc1
InChIInChI=1S/C10H13BrO2/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-6,10,12H,2,7H2,1H3
InChIKeyRIFMPTIAQXDFDJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-phosphorosophenoxy)propan-1-ol
CID 141342595
[4-(1-hydroxypropoxy)phenyl]arsonic acid
CID 154103287
1-(bromomethyl)-4-(2-ethylbutoxy)benzene
CID 82929266
4-[2-[4-(1-hydroxypropoxy)phenyl]propan-2-yl]phenol
CID 70641733
1-(bromomethyl)-4-(4-propoxyphenoxy)benzene
CID 107087461
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
1-[4-(bromomethyl)phenyl]ethanol
CID 90882765
1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
CID 107086638
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 59116280
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)phenoxy]propan-1-ol?
The IUPAC name of 1-[4-(bromomethyl)phenoxy]propan-1-ol (CID 139754886) is 1-[4-(bromomethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 1-[4-(bromomethyl)phenoxy]propan-1-ol?
The canonical SMILES for 1-[4-(bromomethyl)phenoxy]propan-1-ol is CCC(O)Oc1ccc(CBr)cc1.
What is the InChIKey of 1-[4-(bromomethyl)phenoxy]propan-1-ol?
The InChIKey is RIFMPTIAQXDFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-6,10,12H,2,7H2,1H3.
What are the key properties of 1-[4-(bromomethyl)phenoxy]propan-1-ol?
1-[4-(bromomethyl)phenoxy]propan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 139754886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).