3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde

C13H13ClO2 — CID 166806239

IUPAC3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde
SMILESCC1OC(C=O)=CC1Cc1cccc(Cl)c1
InChIInChI=1S/C13H13ClO2/c1-9-11(7-13(8-15)16-9)5-10-3-2-4-12(14)6-10/h2-4,6-9,11H,5H2,1H3
InChIKeyFZTAWSZJRRGJCK-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.00
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde

3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde (PubChem CID 166806239) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde
PubChem CID166806239
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde
SMILESCC1OC(C=O)=CC1Cc1cccc(Cl)c1
InChIInChI=1S/C13H13ClO2/c1-9-11(7-13(8-15)16-9)5-10-3-2-4-12(14)6-10/h2-4,6-9,11H,5H2,1H3
InChIKeyFZTAWSZJRRGJCK-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde 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

3-[(3-chlorophenyl)methyl]-1-methylazetidine
CID 155020955
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
3-[(3-chlorophenyl)methyl]oxetane
CID 129453186
N-[(3-chlorophenyl)methyl]-3-methyloxirane-2-carboxamide
CID 134349407
[5-[(3-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061565
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
(E)-1-(3-chlorophenyl)pent-3-en-2-one
CID 103453403
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
(Z)-1-(3-chlorophenyl)hex-3-ene-2,5-dione
CID 11379072
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
N-amino-N-[(3-chlorophenyl)methyl]formamide
CID 87961118

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde (CID 166806239) is 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde is CC1OC(C=O)=CC1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde?
The InChIKey is FZTAWSZJRRGJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-9-11(7-13(8-15)16-9)5-10-3-2-4-12(14)6-10/h2-4,6-9,11H,5H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde?
3-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydrofuran-5-carbaldehyde has a molecular weight of 236.70 g/mol, XLogP of 3.00, 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]-2-methyl-2,3-dihydrofuran-5-carbaldehyde is sourced from PubChem (CID 166806239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).