2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde

C23H28O4 — CID 19930274

IUPAC2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(C=O)c(OCCCCCCCCc2ccc(O)cc2)c(C=O)c1
InChIInChI=1S/C23H28O4/c1-18-14-20(16-24)23(21(15-18)17-25)27-13-7-5-3-2-4-6-8-19-9-11-22(26)12-10-19/h9-12,14-17,26H,2-8,13H2,1H3
InChIKeyCEZSNFWUWRGQEM-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.29
Rot. Bonds12

About 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde

2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde (PubChem CID 19930274) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde
PubChem CID19930274
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(C=O)c(OCCCCCCCCc2ccc(O)cc2)c(C=O)c1
InChIInChI=1S/C23H28O4/c1-18-14-20(16-24)23(21(15-18)17-25)27-13-7-5-3-2-4-6-8-19-9-11-22(26)12-10-19/h9-12,14-17,26H,2-8,13H2,1H3
InChIKeyCEZSNFWUWRGQEM-UHFFFAOYSA-N
XLogP5.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[8-(4-methylphenyl)octoxy]benzene-1,3-dicarbaldehyde
CID 19930286
5-chloro-2-(8-phenyloctoxy)benzene-1,3-dicarbaldehyde
CID 19930257
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
5-methyl-2-(2-phenylethoxy)-3-prop-2-enylbenzaldehyde
CID 54849840
5-hexadecyl-2-[(4-hydroxyphenyl)methyl]benzene-1,3-dicarbaldehyde
CID 174485603
4-heptylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174342857
4-(5-propoxypentyl)phenol
CID 175182886
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
4-(8-sulfanyloctyl)phenol
CID 58675994
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174345319
2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde (CID 19930274) is 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde is Cc1cc(C=O)c(OCCCCCCCCc2ccc(O)cc2)c(C=O)c1.
What is the InChIKey of 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde?
The InChIKey is CEZSNFWUWRGQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-18-14-20(16-24)23(21(15-18)17-25)27-13-7-5-3-2-4-6-8-19-9-11-22(26)12-10-19/h9-12,14-17,26H,2-8,13H2,1H3.
What are the key properties of 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde?
2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde has a molecular weight of 368.47 g/mol, XLogP of 5.29, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-hydroxyphenyl)octoxy]-5-methylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 19930274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).