4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde

C12H12O2 — CID 134967327

IUPAC4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde
SMILESC[C@]1(c2ccc(C=O)cc2)CC=CO1
InChIInChI=1S/C12H12O2/c1-12(7-2-8-14-12)11-5-3-10(9-13)4-6-11/h2-6,8-9H,7H2,1H3/t12-/m1/s1
InChIKeyBPAPCPPJMURXCC-GFCCVEGCSA-N
MW188.23 g/mol
LogP2.65
Rot. Bonds2

About 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde

4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde (PubChem CID 134967327) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde
PubChem CID134967327
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde
SMILESC[C@]1(c2ccc(C=O)cc2)CC=CO1
InChIInChI=1S/C12H12O2/c1-12(7-2-8-14-12)11-5-3-10(9-13)4-6-11/h2-6,8-9H,7H2,1H3/t12-/m1/s1
InChIKeyBPAPCPPJMURXCC-GFCCVEGCSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.65
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

4-[(2R)-2-methyl-3H-furan-2-yl]benzonitrile
CID 132563619
(2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan
CID 132563621
4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]benzaldehyde
CID 164891839
4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzaldehyde
CID 58473783
benzene;terephthalaldehyde
CID 163498156
4-[1-(dimethylamino)cyclopropyl]benzaldehyde
CID 115017883
4-(1-hydroxycyclobutyl)benzaldehyde
CID 156800908
4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]benzaldehyde
CID 12925058
4-(5,5-dimethyl-1,3-dioxan-2-yl)benzaldehyde
CID 14827744
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzaldehyde
CID 89073128
benzaldehyde;ethane
CID 54495732
(6R)-6-methyl-6-phenyl-2,5-dihydropyran
CID 100966359

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde?
The IUPAC name of 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde (CID 134967327) is 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde.
What is the SMILES notation for 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde?
The canonical SMILES for 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde is C[C@]1(c2ccc(C=O)cc2)CC=CO1.
What is the InChIKey of 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde?
The InChIKey is BPAPCPPJMURXCC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12O2/c1-12(7-2-8-14-12)11-5-3-10(9-13)4-6-11/h2-6,8-9H,7H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde?
4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde is sourced from PubChem (CID 134967327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).