4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde

C12H14O4 — CID 54175149

IUPAC4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
SMILESCOc1ccc(C=O)cc1O[C@@H]1CCOC1
InChIInChI=1S/C12H14O4/c1-14-11-3-2-9(7-13)6-12(11)16-10-4-5-15-8-10/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m1/s1
InChIKeyOXTVYOFHMVWDQQ-SNVBAGLBSA-N
MW222.24 g/mol
LogP1.68
Rot. Bonds4

About 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde

4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde (PubChem CID 54175149) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
PubChem CID54175149
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
SMILESCOc1ccc(C=O)cc1O[C@@H]1CCOC1
InChIInChI=1S/C12H14O4/c1-14-11-3-2-9(7-13)6-12(11)16-10-4-5-15-8-10/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m1/s1
InChIKeyOXTVYOFHMVWDQQ-SNVBAGLBSA-N
XLogP1.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-methoxy-4-(oxolan-3-yloxy)benzaldehyde
CID 63558544
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
(E)-3-[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]prop-2-enoic acid
CID 95355313
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79906115
3-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-oxopropanal
CID 58883405
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 14010156
3-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 129362758
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
methyl 2-hydroxy-2-[4-methoxy-3-(oxan-4-yloxy)phenyl]acetate
CID 117477504

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde?
The IUPAC name of 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde (CID 54175149) is 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde.
What is the SMILES notation for 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde?
The canonical SMILES for 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde is COc1ccc(C=O)cc1O[C@@H]1CCOC1.
What is the InChIKey of 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde?
The InChIKey is OXTVYOFHMVWDQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14O4/c1-14-11-3-2-9(7-13)6-12(11)16-10-4-5-15-8-10/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m1/s1.
What are the key properties of 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde?
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde has a molecular weight of 222.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde is sourced from PubChem (CID 54175149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).