1-(4-bromopent-1-enoxy)propan-2-ol

C8H15BrO2 — CID 139925877

IUPAC1-(4-bromopent-1-enoxy)propan-2-ol
SMILESCC(O)COC=CCC(C)Br
InChIInChI=1S/C8H15BrO2/c1-7(9)4-3-5-11-6-8(2)10/h3,5,7-8,10H,4,6H2,1-2H3
InChIKeyQLKSKKIDRVBJRP-UHFFFAOYSA-N
MW223.11 g/mol
LogP2.07
Rot. Bonds5

About 1-(4-bromopent-1-enoxy)propan-2-ol

1-(4-bromopent-1-enoxy)propan-2-ol (PubChem CID 139925877) has the molecular formula C8H15BrO2 and a molecular weight of 223.11 g/mol. Its IUPAC name is 1-(4-bromopent-1-enoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromopent-1-enoxy)propan-2-ol
PubChem CID139925877
Molecular FormulaC8H15BrO2
Molecular Weight223.11 g/mol
Exact Mass222.03
IUPAC Name1-(4-bromopent-1-enoxy)propan-2-ol
SMILESCC(O)COC=CCC(C)Br
InChIInChI=1S/C8H15BrO2/c1-7(9)4-3-5-11-6-8(2)10/h3,5,7-8,10H,4,6H2,1-2H3
InChIKeyQLKSKKIDRVBJRP-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(4-bromopent-1-enoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol
CID 54245312
5-bromohex-2-ene
CID 53438987
(Z)-4-methyl-1-prop-2-enoxypent-1-ene
CID 118124236
1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol
CID 87659385
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
2-bromooct-4-ene
CID 142101254
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
(Z)-1-ethoxy-4-methylhex-1-ene
CID 11400836
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
1-methoxypropan-2-ol chloride
CID 23303898
dihydroxy-bis(2-hydroxypropoxy)phosphanium
CID 89292241
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopent-1-enoxy)propan-2-ol?
The IUPAC name of 1-(4-bromopent-1-enoxy)propan-2-ol (CID 139925877) is 1-(4-bromopent-1-enoxy)propan-2-ol.
What is the SMILES notation for 1-(4-bromopent-1-enoxy)propan-2-ol?
The canonical SMILES for 1-(4-bromopent-1-enoxy)propan-2-ol is CC(O)COC=CCC(C)Br.
What is the InChIKey of 1-(4-bromopent-1-enoxy)propan-2-ol?
The InChIKey is QLKSKKIDRVBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2/c1-7(9)4-3-5-11-6-8(2)10/h3,5,7-8,10H,4,6H2,1-2H3.
What are the key properties of 1-(4-bromopent-1-enoxy)propan-2-ol?
1-(4-bromopent-1-enoxy)propan-2-ol has a molecular weight of 223.11 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopent-1-enoxy)propan-2-ol is sourced from PubChem (CID 139925877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).