(2S)-2-(4-methoxyphenyl)propanal

C10H12O2 — CID 11137473

IUPAC(2S)-2-(4-methoxyphenyl)propanal
SMILESCOc1ccc([C@H](C)C=O)cc1
InChIInChI=1S/C10H12O2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3/t8-/m1/s1
InChIKeyJDZPCXLQZLJIPR-MRVPVSSYSA-N
MW164.20 g/mol
LogP2.00
Rot. Bonds3

About (2S)-2-(4-methoxyphenyl)propanal

(2S)-2-(4-methoxyphenyl)propanal (PubChem CID 11137473) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)propanal.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)propanal
PubChem CID11137473
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2S)-2-(4-methoxyphenyl)propanal
SMILESCOc1ccc([C@H](C)C=O)cc1
InChIInChI=1S/C10H12O2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3/t8-/m1/s1
InChIKeyJDZPCXLQZLJIPR-MRVPVSSYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.00
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-(4-methoxyphenoxy)propanal
CID 53381044
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde
CID 135349106
(2R,3S)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563622
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
2-(4-sulfanylphenyl)propanal
CID 134639265
(2R)-2-(4-bromophenyl)propanal
CID 39243198
2-(4-methoxyphenyl)-3-oxopropanenitrile
CID 10866844
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
2-(2,5-dimethoxyphenyl)propanal
CID 596766
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
[1-(4-methoxyphenyl)-2-oxoethyl] methanesulfonate
CID 87719315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)propanal?
The IUPAC name of (2S)-2-(4-methoxyphenyl)propanal (CID 11137473) is (2S)-2-(4-methoxyphenyl)propanal.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)propanal?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)propanal is COc1ccc([C@H](C)C=O)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)propanal?
The InChIKey is JDZPCXLQZLJIPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3/t8-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)propanal?
(2S)-2-(4-methoxyphenyl)propanal has a molecular weight of 164.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)propanal is sourced from PubChem (CID 11137473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).