3-(3-bromophenyl)oxolane-3-carbaldehyde

C11H11BrO2 — CID 130418265

IUPAC3-(3-bromophenyl)oxolane-3-carbaldehyde
SMILESO=CC1(c2cccc(Br)c2)CCOC1
InChIInChI=1S/C11H11BrO2/c12-10-3-1-2-9(6-10)11(7-13)4-5-14-8-11/h1-3,6-7H,4-5,8H2
InChIKeyQIKIZAZJRHASKF-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.31
Rot. Bonds2

About 3-(3-bromophenyl)oxolane-3-carbaldehyde

3-(3-bromophenyl)oxolane-3-carbaldehyde (PubChem CID 130418265) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-(3-bromophenyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-(3-bromophenyl)oxolane-3-carbaldehyde
PubChem CID130418265
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name3-(3-bromophenyl)oxolane-3-carbaldehyde
SMILESO=CC1(c2cccc(Br)c2)CCOC1
InChIInChI=1S/C11H11BrO2/c12-10-3-1-2-9(6-10)11(7-13)4-5-14-8-11/h1-3,6-7H,4-5,8H2
InChIKeyQIKIZAZJRHASKF-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-phenyloxolane-3-carbaldehyde
CID 98041318
4-(3-chlorophenyl)oxane-4-carbaldehyde
CID 42553293
4-(3-iodophenyl)oxane-4-carbaldehyde
CID 18786357
4-(3-bromophenyl)-N-methyloxan-4-amine
CID 83693917
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
(3R)-3-(3-bromophenyl)-3-methylmorpholine
CID 96926768
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-cyclopropylmethanamine
CID 119110407
(4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane
CID 125477011
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
3-[(4-bromothiophen-2-yl)methyl]oxolane-3-carbaldehyde
CID 126997324
1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene
CID 170948533

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)oxolane-3-carbaldehyde?
The IUPAC name of 3-(3-bromophenyl)oxolane-3-carbaldehyde (CID 130418265) is 3-(3-bromophenyl)oxolane-3-carbaldehyde.
What is the SMILES notation for 3-(3-bromophenyl)oxolane-3-carbaldehyde?
The canonical SMILES for 3-(3-bromophenyl)oxolane-3-carbaldehyde is O=CC1(c2cccc(Br)c2)CCOC1.
What is the InChIKey of 3-(3-bromophenyl)oxolane-3-carbaldehyde?
The InChIKey is QIKIZAZJRHASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-3-1-2-9(6-10)11(7-13)4-5-14-8-11/h1-3,6-7H,4-5,8H2.
What are the key properties of 3-(3-bromophenyl)oxolane-3-carbaldehyde?
3-(3-bromophenyl)oxolane-3-carbaldehyde has a molecular weight of 255.11 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 130418265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).