4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol

C15H16O3 — CID 10900865

IUPAC4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol
SMILESOc1ccc(CCCc2ccc(O)cc2O)cc1
InChIInChI=1S/C15H16O3/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h4-10,16-18H,1-3H2
InChIKeyOKSKNGMIUSMMMM-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.98
Rot. Bonds4

About 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol

4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol (PubChem CID 10900865) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol
PubChem CID10900865
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol
SMILESOc1ccc(CCCc2ccc(O)cc2O)cc1
InChIInChI=1S/C15H16O3/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h4-10,16-18H,1-3H2
InChIKeyOKSKNGMIUSMMMM-UHFFFAOYSA-N
XLogP2.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol (CID 10900865) is 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol is Oc1ccc(CCCc2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol?
The InChIKey is OKSKNGMIUSMMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h4-10,16-18H,1-3H2.
What are the key properties of 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol?
4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol has a molecular weight of 244.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol is sourced from PubChem (CID 10900865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).