5-(4-methylphenyl)oxolane-2-carbaldehyde

C12H14O2 — CID 130584653

IUPAC5-(4-methylphenyl)oxolane-2-carbaldehyde
SMILESCc1ccc(C2CCC(C=O)O2)cc1
InChIInChI=1S/C12H14O2/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-12/h2-5,8,11-12H,6-7H2,1H3
InChIKeyBHYXPLLKBDAYEM-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.41
Rot. Bonds2

About 5-(4-methylphenyl)oxolane-2-carbaldehyde

5-(4-methylphenyl)oxolane-2-carbaldehyde (PubChem CID 130584653) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-(4-methylphenyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methylphenyl)oxolane-2-carbaldehyde
PubChem CID130584653
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-(4-methylphenyl)oxolane-2-carbaldehyde
SMILESCc1ccc(C2CCC(C=O)O2)cc1
InChIInChI=1S/C12H14O2/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-12/h2-5,8,11-12H,6-7H2,1H3
InChIKeyBHYXPLLKBDAYEM-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.41
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

5-(4-ethylphenyl)oxolane-2-carbaldehyde
CID 130584532
5-(4-bromo-3-chlorophenyl)oxolane-2-carbaldehyde
CID 130584704
4-(4-methylphenyl)oxane-2-carbaldehyde
CID 175388457
5-[(4-methylphenyl)sulfonylmethyl]oxolane-2-carbaldehyde
CID 174645352
5-methyl-2-(4-methylphenyl)oxane
CID 23520509
(2R,6S)-2-(iodomethyl)-6-(4-methylphenyl)oxane
CID 58035404
cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 45083364
6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde
CID 126983872
ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 142479351
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
2,2-dimethyl-4-(4-methylphenyl)oxetane
CID 12731994
2-cyclopropyl-6-(4-methylphenyl)morpholine
CID 63297311

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)oxolane-2-carbaldehyde?
The IUPAC name of 5-(4-methylphenyl)oxolane-2-carbaldehyde (CID 130584653) is 5-(4-methylphenyl)oxolane-2-carbaldehyde.
What is the SMILES notation for 5-(4-methylphenyl)oxolane-2-carbaldehyde?
The canonical SMILES for 5-(4-methylphenyl)oxolane-2-carbaldehyde is Cc1ccc(C2CCC(C=O)O2)cc1.
What is the InChIKey of 5-(4-methylphenyl)oxolane-2-carbaldehyde?
The InChIKey is BHYXPLLKBDAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-12/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 5-(4-methylphenyl)oxolane-2-carbaldehyde?
5-(4-methylphenyl)oxolane-2-carbaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 130584653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).