4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol

C23H24O6 — CID 150895447

IUPAC4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol
SMILESOc1ccc(CCC(CCc2ccc(O)cc2O)c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C23H24O6/c24-17-7-5-15(21(27)11-17)3-1-14(20-10-9-19(26)13-23(20)29)2-4-16-6-8-18(25)12-22(16)28/h5-14,24-29H,1-4H2
InChIKeyKYWXSADIQONVBH-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.27
Rot. Bonds7

About 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol

4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol (PubChem CID 150895447) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol
PubChem CID150895447
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol
SMILESOc1ccc(CCC(CCc2ccc(O)cc2O)c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C23H24O6/c24-17-7-5-15(21(27)11-17)3-1-14(20-10-9-19(26)13-23(20)29)2-4-16-6-8-18(25)12-22(16)28/h5-14,24-29H,1-4H2
InChIKeyKYWXSADIQONVBH-UHFFFAOYSA-N
XLogP4.27
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 54.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

benzene-1,3-diol;4-[3,4-bis(2,4-dihydroxyphenyl)butyl]benzene-1,3-diol;propane
CID 157314444
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563
4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
CID 25177607
4-[2-(2,4-dihydroxyphenyl)-1,2-bis(sulfanyl)ethyl]benzene-1,3-diol
CID 23187827
4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
CID 50988720
4-(13-methyltetradecyl)benzene-1,3-diol
CID 10268006
4-[1-(2,4-dihydroxyphenyl)-2-hydroxyethyl]benzene-1,3-diol
CID 144664585
4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol
CID 129383158
4-(fluoromethyl)benzene-1,3-diol
CID 91883667
4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402
4-ethylbenzene-1,3-diol
CID 17927

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol?
The IUPAC name of 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol (CID 150895447) is 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol.
What is the SMILES notation for 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol?
The canonical SMILES for 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol is Oc1ccc(CCC(CCc2ccc(O)cc2O)c2ccc(O)cc2O)c(O)c1.
What is the InChIKey of 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol?
The InChIKey is KYWXSADIQONVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c24-17-7-5-15(21(27)11-17)3-1-14(20-10-9-19(26)13-23(20)29)2-4-16-6-8-18(25)12-22(16)28/h5-14,24-29H,1-4H2.
What are the key properties of 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol?
4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol has a molecular weight of 396.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol is sourced from PubChem (CID 150895447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).