4,6-dipropylbenzene-1,3-diol

C12H18O2 — CID 70496109

IUPAC4,6-dipropylbenzene-1,3-diol
SMILESCCCc1cc(CCC)c(O)cc1O
InChIInChI=1S/C12H18O2/c1-3-5-9-7-10(6-4-2)12(14)8-11(9)13/h7-8,13-14H,3-6H2,1-2H3
InChIKeySGQRHLYMRXHUJL-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.00
Rot. Bonds4

About 4,6-dipropylbenzene-1,3-diol

4,6-dipropylbenzene-1,3-diol (PubChem CID 70496109) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4,6-dipropylbenzene-1,3-diol.

Molecular Properties

Compound Name4,6-dipropylbenzene-1,3-diol
PubChem CID70496109
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4,6-dipropylbenzene-1,3-diol
SMILESCCCc1cc(CCC)c(O)cc1O
InChIInChI=1S/C12H18O2/c1-3-5-9-7-10(6-4-2)12(14)8-11(9)13/h7-8,13-14H,3-6H2,1-2H3
InChIKeySGQRHLYMRXHUJL-UHFFFAOYSA-N
XLogP3.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(hydroxymethyl)-5-propylphenol
CID 20528682
4-propyl-6-(3-propylphenyl)benzene-1,3-diol
CID 71009376
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475
4-bromo-5-butyl-2-propylphenol
CID 118092192
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
ethane;5-fluoro-2-propylphenol
CID 143012210
4-(4-fluorophenyl)-2-propylphenol
CID 22458869
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
4-chloro-2-ethyl-5-propylphenol
CID 118092079
4-(2-methylpyrazol-3-yl)-6-propylbenzene-1,3-diol
CID 143181839
5-methoxy-2-propylphenol
CID 12836519
2,3-difluoro-4-propylphenol
CID 14495704

Frequently Asked Questions

What is the IUPAC name of 4,6-dipropylbenzene-1,3-diol?
The IUPAC name of 4,6-dipropylbenzene-1,3-diol (CID 70496109) is 4,6-dipropylbenzene-1,3-diol.
What is the SMILES notation for 4,6-dipropylbenzene-1,3-diol?
The canonical SMILES for 4,6-dipropylbenzene-1,3-diol is CCCc1cc(CCC)c(O)cc1O.
What is the InChIKey of 4,6-dipropylbenzene-1,3-diol?
The InChIKey is SGQRHLYMRXHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-5-9-7-10(6-4-2)12(14)8-11(9)13/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 4,6-dipropylbenzene-1,3-diol?
4,6-dipropylbenzene-1,3-diol has a molecular weight of 194.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dipropylbenzene-1,3-diol is sourced from PubChem (CID 70496109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).