(E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal

C19H19ClO2 — CID 154715578

IUPAC(E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal
SMILESCOc1ccccc1[C@@](C)(C=O)C/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClO2/c1-19(14-21,17-7-3-4-8-18(17)22-2)13-5-6-15-9-11-16(20)12-10-15/h3-12,14H,13H2,1-2H3/b6-5+/t19-/m1/s1
InChIKeyGKYKYJWTLCLSBB-ZMBJWTFHSA-N
MW314.81 g/mol
LogP4.91
Rot. Bonds6

About (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal

(E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal (PubChem CID 154715578) has the molecular formula C19H19ClO2 and a molecular weight of 314.81 g/mol. Its IUPAC name is (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal.

Molecular Properties

Compound Name(E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal
PubChem CID154715578
Molecular FormulaC19H19ClO2
Molecular Weight314.81 g/mol
Exact Mass314.11
IUPAC Name(E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal
SMILESCOc1ccccc1[C@@](C)(C=O)C/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClO2/c1-19(14-21,17-7-3-4-8-18(17)22-2)13-5-6-15-9-11-16(20)12-10-15/h3-12,14H,13H2,1-2H3/b6-5+/t19-/m1/s1
InChIKeyGKYKYJWTLCLSBB-ZMBJWTFHSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 54.91
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-chlorobenzaldehyde;1-methoxy-2-methylbenzene
CID 144659378
3-[[(Z)-3-(4-chlorophenyl)prop-2-enyl]amino]-4-methoxybenzoic acid
CID 98339863
1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
CID 14044887
2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride
CID 82303075
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136375
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 3748194
(E)-3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268813
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17333555
dimethyl 2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 101398643
2-[(E)-3-(4-chlorophenyl)-1-hydroxy-1-(4-methoxyphenyl)prop-2-enyl]phenol
CID 71593142
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243

Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal?
The IUPAC name of (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal (CID 154715578) is (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal.
What is the SMILES notation for (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal?
The canonical SMILES for (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal is COc1ccccc1[C@@](C)(C=O)C/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal?
The InChIKey is GKYKYJWTLCLSBB-ZMBJWTFHSA-N. The full InChI is InChI=1S/C19H19ClO2/c1-19(14-21,17-7-3-4-8-18(17)22-2)13-5-6-15-9-11-16(20)12-10-15/h3-12,14H,13H2,1-2H3/b6-5+/t19-/m1/s1.
What are the key properties of (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal?
(E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal has a molecular weight of 314.81 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-(4-chlorophenyl)-2-(2-methoxyphenyl)-2-methylpent-4-enal is sourced from PubChem (CID 154715578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).