5-propylbenzene-1,3-diol

C9H12O2 — CID 3083600

IUPAC5-propylbenzene-1,3-diol
SMILESCCCc1cc(O)cc(O)c1
InChIInChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3
InChIKeyFRNQLQRBNSSJBK-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.05
Rot. Bonds2

About 5-propylbenzene-1,3-diol

5-propylbenzene-1,3-diol (PubChem CID 3083600) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-propylbenzene-1,3-diol.

Molecular Properties

Compound Name5-propylbenzene-1,3-diol
PubChem CID3083600
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-propylbenzene-1,3-diol
SMILESCCCc1cc(O)cc(O)c1
InChIInChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3
InChIKeyFRNQLQRBNSSJBK-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-5-propylphenol
CID 69337384
CID 175718629
CID 175718629
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
3,5-dibutylphenol
CID 15936149
5-[6-(3,5-dihydroxyphenyl)hexyl]benzene-1,3-diol
CID 71394044
5-[18-(3,5-dihydroxyphenyl)octadecyl]benzene-1,3-diol
CID 101039631
5-(hydroxymethyl)benzene-1,3-diol;propane
CID 171649400
(3,5-dipropylphenyl)methanol
CID 23592581
5-(5,5,5-trideuteriopentyl)benzene-1,3-diol
CID 11286856
3-ethyl-5-pentylphenol
CID 130224031
dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate
CID 173388833

Frequently Asked Questions

What is the IUPAC name of 5-propylbenzene-1,3-diol?
The IUPAC name of 5-propylbenzene-1,3-diol (CID 3083600) is 5-propylbenzene-1,3-diol.
What is the SMILES notation for 5-propylbenzene-1,3-diol?
The canonical SMILES for 5-propylbenzene-1,3-diol is CCCc1cc(O)cc(O)c1.
What is the InChIKey of 5-propylbenzene-1,3-diol?
The InChIKey is FRNQLQRBNSSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3.
What are the key properties of 5-propylbenzene-1,3-diol?
5-propylbenzene-1,3-diol has a molecular weight of 152.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylbenzene-1,3-diol is sourced from PubChem (CID 3083600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).