1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one

C23H30O5 — CID 154180149

IUPAC1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
SMILESCC(C)Oc1ccc(O)c(CCC(=O)CCc2cc(OC(C)C)ccc2O)c1
InChIInChI=1S/C23H30O5/c1-15(2)27-20-9-11-22(25)17(13-20)5-7-19(24)8-6-18-14-21(28-16(3)4)10-12-23(18)26/h9-16,25-26H,5-8H2,1-4H3
InChIKeyJQWRHCRWNACDKX-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.81
Rot. Bonds10

About 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one

1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one (PubChem CID 154180149) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
PubChem CID154180149
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
SMILESCC(C)Oc1ccc(O)c(CCC(=O)CCc2cc(OC(C)C)ccc2O)c1
InChIInChI=1S/C23H30O5/c1-15(2)27-20-9-11-22(25)17(13-20)5-7-19(24)8-6-18-14-21(28-16(3)4)10-12-23(18)26/h9-16,25-26H,5-8H2,1-4H3
InChIKeyJQWRHCRWNACDKX-UHFFFAOYSA-N
XLogP4.81
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate
CID 82553048
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
(4-hydroxy-3-propylphenyl) acetate
CID 151790700
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574
4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
CID 82267401
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
N'-[3-(2-hydroxyphenyl)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 17496431
5-(2-ethyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82267403
propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
CID 82553050
2,5-di(propan-2-yloxy)phenol
CID 57426094
2-nitro-4-propan-2-yloxyphenol
CID 11820026

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one?
The IUPAC name of 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one (CID 154180149) is 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one?
The canonical SMILES for 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one is CC(C)Oc1ccc(O)c(CCC(=O)CCc2cc(OC(C)C)ccc2O)c1.
What is the InChIKey of 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one?
The InChIKey is JQWRHCRWNACDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O5/c1-15(2)27-20-9-11-22(25)17(13-20)5-7-19(24)8-6-18-14-21(28-16(3)4)10-12-23(18)26/h9-16,25-26H,5-8H2,1-4H3.
What are the key properties of 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one?
1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one has a molecular weight of 386.49 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one is sourced from PubChem (CID 154180149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).