2,8-bis(2-hydroxyphenyl)nonan-5-one

C21H26O3 — CID 150620616

IUPAC2,8-bis(2-hydroxyphenyl)nonan-5-one
SMILESCC(CCC(=O)CCC(C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C21H26O3/c1-15(18-7-3-5-9-20(18)23)11-13-17(22)14-12-16(2)19-8-4-6-10-21(19)24/h3-10,15-16,23-24H,11-14H2,1-2H3
InChIKeyIVUXRAKTRZZNOL-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.13
Rot. Bonds8

About 2,8-bis(2-hydroxyphenyl)nonan-5-one

2,8-bis(2-hydroxyphenyl)nonan-5-one (PubChem CID 150620616) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,8-bis(2-hydroxyphenyl)nonan-5-one.

Molecular Properties

Compound Name2,8-bis(2-hydroxyphenyl)nonan-5-one
PubChem CID150620616
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name2,8-bis(2-hydroxyphenyl)nonan-5-one
SMILESCC(CCC(=O)CCC(C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C21H26O3/c1-15(18-7-3-5-9-20(18)23)11-13-17(22)14-12-16(2)19-8-4-6-10-21(19)24/h3-10,15-16,23-24H,11-14H2,1-2H3
InChIKeyIVUXRAKTRZZNOL-UHFFFAOYSA-N
XLogP5.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1-aminopropan-2-yl)phenol
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methyl 4-(2-bromophenyl)pentanoate
CID 24975080
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
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tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
CID 154932101
3,7-dimethyloct-6-enyl 4-(2-hydroxyphenyl)pentanoate
CID 142486298
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
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2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid
CID 69269941

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(2-hydroxyphenyl)nonan-5-one?
The IUPAC name of 2,8-bis(2-hydroxyphenyl)nonan-5-one (CID 150620616) is 2,8-bis(2-hydroxyphenyl)nonan-5-one.
What is the SMILES notation for 2,8-bis(2-hydroxyphenyl)nonan-5-one?
The canonical SMILES for 2,8-bis(2-hydroxyphenyl)nonan-5-one is CC(CCC(=O)CCC(C)c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2,8-bis(2-hydroxyphenyl)nonan-5-one?
The InChIKey is IVUXRAKTRZZNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-15(18-7-3-5-9-20(18)23)11-13-17(22)14-12-16(2)19-8-4-6-10-21(19)24/h3-10,15-16,23-24H,11-14H2,1-2H3.
What are the key properties of 2,8-bis(2-hydroxyphenyl)nonan-5-one?
2,8-bis(2-hydroxyphenyl)nonan-5-one has a molecular weight of 326.44 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(2-hydroxyphenyl)nonan-5-one is sourced from PubChem (CID 150620616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).