2,5-diphenyl-4-propoxybenzene-1,3-diol

C21H20O3 — CID 44577227

IUPAC2,5-diphenyl-4-propoxybenzene-1,3-diol
SMILESCCCOc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O
InChIInChI=1S/C21H20O3/c1-2-13-24-21-17(15-9-5-3-6-10-15)14-18(22)19(20(21)23)16-11-7-4-8-12-16/h3-12,14,22-23H,2,13H2,1H3
InChIKeyTXRIXIODFALMLJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.22
Rot. Bonds5

About 2,5-diphenyl-4-propoxybenzene-1,3-diol

2,5-diphenyl-4-propoxybenzene-1,3-diol (PubChem CID 44577227) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2,5-diphenyl-4-propoxybenzene-1,3-diol.

Molecular Properties

Compound Name2,5-diphenyl-4-propoxybenzene-1,3-diol
PubChem CID44577227
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2,5-diphenyl-4-propoxybenzene-1,3-diol
SMILESCCCOc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O
InChIInChI=1S/C21H20O3/c1-2-13-24-21-17(15-9-5-3-6-10-15)14-18(22)19(20(21)23)16-11-7-4-8-12-16/h3-12,14,22-23H,2,13H2,1H3
InChIKeyTXRIXIODFALMLJ-UHFFFAOYSA-N
XLogP5.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Catechin
CID 9064
Epicatechin
CID 72276
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
CID 1203
3',7-Dihydroxy-2',4'-dimethoxyisoflavan
CID 4484949
(-)-Catechol
CID 73160
(+)-Epicatechin
CID 182232
(-)-Combretastatin
CID 9895264
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol
CID 23872112
Leucocyanidin
CID 71629
(2R,3S,4S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
CID 440833
Isomucronulatol
CID 602152
Dalbergin
CID 442768

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-4-propoxybenzene-1,3-diol?
The IUPAC name of 2,5-diphenyl-4-propoxybenzene-1,3-diol (CID 44577227) is 2,5-diphenyl-4-propoxybenzene-1,3-diol.
What is the SMILES notation for 2,5-diphenyl-4-propoxybenzene-1,3-diol?
The canonical SMILES for 2,5-diphenyl-4-propoxybenzene-1,3-diol is CCCOc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O.
What is the InChIKey of 2,5-diphenyl-4-propoxybenzene-1,3-diol?
The InChIKey is TXRIXIODFALMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-2-13-24-21-17(15-9-5-3-6-10-15)14-18(22)19(20(21)23)16-11-7-4-8-12-16/h3-12,14,22-23H,2,13H2,1H3.
What are the key properties of 2,5-diphenyl-4-propoxybenzene-1,3-diol?
2,5-diphenyl-4-propoxybenzene-1,3-diol has a molecular weight of 320.39 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-4-propoxybenzene-1,3-diol is sourced from PubChem (CID 44577227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).