2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde

C18H20O4 — CID 87187255

IUPAC2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde
SMILESCCOc1ccc(C(C=O)c2cc(CC)c(O)cc2O)cc1
InChIInChI=1S/C18H20O4/c1-3-12-9-15(18(21)10-17(12)20)16(11-19)13-5-7-14(8-6-13)22-4-2/h5-11,16,20-21H,3-4H2,1-2H3
InChIKeyOIUIAYRTVDWTNV-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde

2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde (PubChem CID 87187255) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde
PubChem CID87187255
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde
SMILESCCOc1ccc(C(C=O)c2cc(CC)c(O)cc2O)cc1
InChIInChI=1S/C18H20O4/c1-3-12-9-15(18(21)10-17(12)20)16(11-19)13-5-7-14(8-6-13)22-4-2/h5-11,16,20-21H,3-4H2,1-2H3
InChIKeyOIUIAYRTVDWTNV-UHFFFAOYSA-N
XLogP3.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)propanedial
CID 3698706
4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 139659266
2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
CID 87669895
1-ethoxy-4-(1-phenylprop-2-enyl)benzene
CID 57277088
amino-(4-ethoxyphenyl)methanol
CID 116939610
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520
4-ethoxyaniline;2-ethylphenol
CID 174728070
2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342
S-(4-ethoxyphenyl) methanethioate
CID 117033675
4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol
CID 71345290
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide
CID 878899

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde (CID 87187255) is 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde is CCOc1ccc(C(C=O)c2cc(CC)c(O)cc2O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde?
The InChIKey is OIUIAYRTVDWTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-12-9-15(18(21)10-17(12)20)16(11-19)13-5-7-14(8-6-13)22-4-2/h5-11,16,20-21H,3-4H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde?
2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde has a molecular weight of 300.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde is sourced from PubChem (CID 87187255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).