3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde

C16H18O2 — CID 106888479

IUPAC3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde
SMILESCCC(C)(C)c1ccc(-c2ccoc2C=O)cc1
InChIInChI=1S/C16H18O2/c1-4-16(2,3)13-7-5-12(6-8-13)14-9-10-18-15(14)11-17/h5-11H,4H2,1-3H3
InChIKeyPODKXTZZZOBVES-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.45
Rot. Bonds4

About 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde

3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde (PubChem CID 106888479) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde
PubChem CID106888479
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde
SMILESCCC(C)(C)c1ccc(-c2ccoc2C=O)cc1
InChIInChI=1S/C16H18O2/c1-4-16(2,3)13-7-5-12(6-8-13)14-9-10-18-15(14)11-17/h5-11H,4H2,1-3H3
InChIKeyPODKXTZZZOBVES-UHFFFAOYSA-N
XLogP4.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.45
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-(4-propylphenyl)furan-2-carbaldehyde
CID 106886471
2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde
CID 66257438
3-(3,4-difluorophenyl)furan-2-carbaldehyde
CID 106886467
3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde
CID 106886583
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
3-pyridin-3-ylfuran-2-carbaldehyde
CID 106886416
3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline
CID 66259186
3-(3-nonylphenyl)furan-2-carbaldehyde
CID 151941952
1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene
CID 23466878
2,5-bis(2-methylbutan-2-yl)benzaldehyde
CID 19739505
[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
CID 66259187
2,6-dihydroxy-3-[4-(2-methylbutan-2-yl)phenyl]benzoic acid
CID 70614004

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde (CID 106888479) is 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde is CCC(C)(C)c1ccc(-c2ccoc2C=O)cc1.
What is the InChIKey of 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is PODKXTZZZOBVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-4-16(2,3)13-7-5-12(6-8-13)14-9-10-18-15(14)11-17/h5-11H,4H2,1-3H3.
What are the key properties of 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde?
3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 242.32 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 106888479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).