2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde

C20H20O5 — CID 139590734

IUPAC2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde
SMILESCC(C)=CCOc1cc(C)cc(C(=O)c2cccc(O)c2C=O)c1O
InChIInChI=1S/C20H20O5/c1-12(2)7-8-25-18-10-13(3)9-15(20(18)24)19(23)14-5-4-6-17(22)16(14)11-21/h4-7,9-11,22,24H,8H2,1-3H3
InChIKeyVJAAWUIJTSNWHL-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.79
Rot. Bonds6

About 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde

2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde (PubChem CID 139590734) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde
PubChem CID139590734
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde
SMILESCC(C)=CCOc1cc(C)cc(C(=O)c2cccc(O)c2C=O)c1O
InChIInChI=1S/C20H20O5/c1-12(2)7-8-25-18-10-13(3)9-15(20(18)24)19(23)14-5-4-6-17(22)16(14)11-21/h4-7,9-11,22,24H,8H2,1-3H3
InChIKeyVJAAWUIJTSNWHL-UHFFFAOYSA-N
XLogP3.79
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
CID 101239649
2-[3-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-2-hydroxy-5-methylbenzoyl]-6-hydroxy-3-(3-methylbut-2-enyl)benzaldehyde
CID 162815240
5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde
CID 63325352
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 91619201
3-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]prop-2-enoic acid
CID 77011485
(E)-1-[3,6-dihydroxy-2-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
CID 24970523
(E)-1-[2-hydroxy-6-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 90681068
ethyl (E)-4-(2-formyl-3-hydroxyphenoxy)but-2-enoate
CID 135012224
3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole
CID 91493313
2-methyl-6-(3-methylbut-2-enoxy)aniline
CID 107899463

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde (CID 139590734) is 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde is CC(C)=CCOc1cc(C)cc(C(=O)c2cccc(O)c2C=O)c1O.
What is the InChIKey of 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde?
The InChIKey is VJAAWUIJTSNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-12(2)7-8-25-18-10-13(3)9-15(20(18)24)19(23)14-5-4-6-17(22)16(14)11-21/h4-7,9-11,22,24H,8H2,1-3H3.
What are the key properties of 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde?
2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde has a molecular weight of 340.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde is sourced from PubChem (CID 139590734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).