3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde

C12H13ClO2 — CID 130663247

IUPAC3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(Cc2cccc(Cl)c2)CCOC1
InChIInChI=1S/C12H13ClO2/c13-11-3-1-2-10(6-11)7-12(8-14)4-5-15-9-12/h1-3,6,8H,4-5,7,9H2
InChIKeyVYIQHTHKJZFQQA-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.49
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde

3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde (PubChem CID 130663247) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde
PubChem CID130663247
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde
SMILESO=CC1(Cc2cccc(Cl)c2)CCOC1
InChIInChI=1S/C12H13ClO2/c13-11-3-1-2-10(6-11)7-12(8-14)4-5-15-9-12/h1-3,6,8H,4-5,7,9H2
InChIKeyVYIQHTHKJZFQQA-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.49
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

3-[[(3-chlorophenyl)methyl-methylamino]methyl]oxane-3-carbaldehyde
CID 63739911
4-(chloromethyl)-4-[(3-chlorophenyl)methyl]oxane
CID 66033526
3-(furan-2-ylmethyl)oxolane-3-carbaldehyde
CID 130663249
2-[(3-chlorophenyl)methyl]thiolane-2-carbaldehyde
CID 131071698
2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
CID 146076468
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
4-(3-chlorophenyl)oxane-4-carbaldehyde
CID 42553293
3-[(4-bromothiophen-2-yl)methyl]oxolane-3-carbaldehyde
CID 126997324
6-[(3-chlorophenyl)methyl]-6-methyl-1,4-oxazepane
CID 82292610
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide
CID 154849787

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde (CID 130663247) is 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde is O=CC1(Cc2cccc(Cl)c2)CCOC1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde?
The InChIKey is VYIQHTHKJZFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-11-3-1-2-10(6-11)7-12(8-14)4-5-15-9-12/h1-3,6,8H,4-5,7,9H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde?
3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde has a molecular weight of 224.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 130663247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).