5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol

C15H16O3 — CID 139309701

IUPAC5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol
SMILESOc1cc(O)cc(CCCc2ccccc2O)c1
InChIInChI=1S/C15H16O3/c16-13-8-11(9-14(17)10-13)4-3-6-12-5-1-2-7-15(12)18/h1-2,5,7-10,16-18H,3-4,6H2
InChIKeyURCVVMZAWVEWBG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.98
Rot. Bonds4

About 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol

5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol (PubChem CID 139309701) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol
PubChem CID139309701
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol
SMILESOc1cc(O)cc(CCCc2ccccc2O)c1
InChIInChI=1S/C15H16O3/c16-13-8-11(9-14(17)10-13)4-3-6-12-5-1-2-7-15(12)18/h1-2,5,7-10,16-18H,3-4,6H2
InChIKeyURCVVMZAWVEWBG-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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Related Compounds

5-(12-phenyldodecyl)benzene-1,3-diol
CID 44575635
2-(12-phenyldodecyl)phenol
CID 70505621
5-[6-(3,5-dihydroxyphenyl)hexyl]benzene-1,3-diol
CID 71394044
5-[18-(3,5-dihydroxyphenyl)octadecyl]benzene-1,3-diol
CID 101039631
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
CID 175749710
CID 175749710
2-(3-iodopropyl)phenol
CID 72722847
CID 69025009
CID 69025009
5-[2-[3-[2-(3,5-dihydroxyphenyl)ethyl]-2-hydroxyphenyl]ethyl]benzene-1,2,3-triol
CID 175639749
11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
CID 11234557
2-dodecylphenol
CID 160834917
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol?
The IUPAC name of 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol (CID 139309701) is 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol.
What is the SMILES notation for 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol?
The canonical SMILES for 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol is Oc1cc(O)cc(CCCc2ccccc2O)c1.
What is the InChIKey of 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol?
The InChIKey is URCVVMZAWVEWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-13-8-11(9-14(17)10-13)4-3-6-12-5-1-2-7-15(12)18/h1-2,5,7-10,16-18H,3-4,6H2.
What are the key properties of 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol?
5-[3-(2-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 5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol is sourced from PubChem (CID 139309701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).