(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal

C14H18O2 — CID 86624017

IUPAC(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal
SMILESC=Cc1cc(OC)ccc1C[C@H](C=O)CC
InChIInChI=1S/C14H18O2/c1-4-11(10-15)8-13-6-7-14(16-3)9-12(13)5-2/h5-7,9-11H,2,4,8H2,1,3H3/t11-/m1/s1
InChIKeyCGPNOWSJIZFWMJ-LLVKDONJSA-N
MW218.30 g/mol
LogP3.11
Rot. Bonds6

About (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal

(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal (PubChem CID 86624017) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal.

Molecular Properties

Compound Name(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal
PubChem CID86624017
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal
SMILESC=Cc1cc(OC)ccc1C[C@H](C=O)CC
InChIInChI=1S/C14H18O2/c1-4-11(10-15)8-13-6-7-14(16-3)9-12(13)5-2/h5-7,9-11H,2,4,8H2,1,3H3/t11-/m1/s1
InChIKeyCGPNOWSJIZFWMJ-LLVKDONJSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.11
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

(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butan-1-ol
CID 66751010
2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599
2-(3-chlorobutyl)-1-ethenyl-4-methoxybenzene
CID 66808234
2-butyl-5-methoxybenzaldehyde
CID 10631601
2-[(2-ethenyl-5-methoxyphenyl)methyl-methylamino]ethanol
CID 15154905
1-ethenyl-2-(3-iodopropyl)-4-methoxybenzene
CID 66808178
2-ethenyl-4-methoxy-1-(2-propylpentoxy)benzene
CID 174257896
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
1-but-3-enyl-2-ethyl-4-methoxybenzene
CID 83941580
2-[(4-fluoro-3-methoxyphenyl)methyl]butanal
CID 83834776
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal?
The IUPAC name of (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal (CID 86624017) is (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal.
What is the SMILES notation for (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal?
The canonical SMILES for (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal is C=Cc1cc(OC)ccc1C[C@H](C=O)CC.
What is the InChIKey of (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal?
The InChIKey is CGPNOWSJIZFWMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-11(10-15)8-13-6-7-14(16-3)9-12(13)5-2/h5-7,9-11H,2,4,8H2,1,3H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal?
(2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal has a molecular weight of 218.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethenyl-4-methoxyphenyl)methyl]butanal is sourced from PubChem (CID 86624017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).