(2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal

C17H18O2 — CID 129387290

IUPAC(2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal
SMILESCOc1cc([C@H](C)C=O)ccc1-c1ccccc1C
InChIInChI=1S/C17H18O2/c1-12-6-4-5-7-15(12)16-9-8-14(13(2)11-18)10-17(16)19-3/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeyAIANZCNRQGYJNO-CYBMUJFWSA-N
MW254.33 g/mol
LogP3.97
Rot. Bonds4

About (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal

(2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal (PubChem CID 129387290) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal.

Molecular Properties

Compound Name(2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal
PubChem CID129387290
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal
SMILESCOc1cc([C@H](C)C=O)ccc1-c1ccccc1C
InChIInChI=1S/C17H18O2/c1-12-6-4-5-7-15(12)16-9-8-14(13(2)11-18)10-17(16)19-3/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeyAIANZCNRQGYJNO-CYBMUJFWSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.97
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

2-[4-(2-fluorophenyl)-3-methoxyphenyl]propanal
CID 21320569
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564
[3-methoxy-4-(2-methylphenyl)phenyl]methanamine
CID 154814905
3-methoxy-N,N-dimethyl-4-(2-methylphenyl)benzamide
CID 144693423
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
2-bromo-2-(3-methoxy-4-pyridin-2-ylphenyl)acetaldehyde
CID 87801528
2-(4-chloro-3-methylphenyl)propanal
CID 57241327
2-(4-amino-3-methylphenyl)propanal
CID 88582796
2-(4-fluoro-2-methoxyphenyl)-7-methylcyclohepta-2,4,6-trien-1-one
CID 118330524
(2S)-2-(3-methylphenyl)propanal
CID 124547254
(2R)-2-(3-methylphenyl)propanal
CID 15372593
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal?
The IUPAC name of (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal (CID 129387290) is (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal.
What is the SMILES notation for (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal?
The canonical SMILES for (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal is COc1cc([C@H](C)C=O)ccc1-c1ccccc1C.
What is the InChIKey of (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal?
The InChIKey is AIANZCNRQGYJNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-6-4-5-7-15(12)16-9-8-14(13(2)11-18)10-17(16)19-3/h4-11,13H,1-3H3/t13-/m1/s1.
What are the key properties of (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal?
(2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal has a molecular weight of 254.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-methoxy-4-(2-methylphenyl)phenyl]propanal is sourced from PubChem (CID 129387290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).