benzene-1,3,5-triol;1,3,5-trimethylbenzene

C15H18O3 — CID 175059565

IUPACbenzene-1,3,5-triol;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.Oc1cc(O)cc(O)c1
InChIInChI=1S/C9H12.C6H6O3/c1-7-4-8(2)6-9(3)5-7;7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H3;1-3,7-9H
InChIKeyMCUOCFXGNXJACO-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.42
Rot. Bonds

About benzene-1,3,5-triol;1,3,5-trimethylbenzene

benzene-1,3,5-triol;1,3,5-trimethylbenzene (PubChem CID 175059565) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is benzene-1,3,5-triol;1,3,5-trimethylbenzene.

Molecular Properties

Compound Namebenzene-1,3,5-triol;1,3,5-trimethylbenzene
PubChem CID175059565
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namebenzene-1,3,5-triol;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.Oc1cc(O)cc(O)c1
InChIInChI=1S/C9H12.C6H6O3/c1-7-4-8(2)6-9(3)5-7;7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H3;1-3,7-9H
InChIKeyMCUOCFXGNXJACO-UHFFFAOYSA-N
XLogP3.42
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Resveratrol
CID 445154
Hexylresorcinol
CID 3610
Tapinarof
CID 6439522
Pinosylvin
CID 5280457
2-Methylresorcinol
CID 11843
Orcinol
CID 10436
Cis-Resveratrol
CID 1548910
Trans-2,3',4,5'-tetrahydroxystilbene
CID 5281717
5-Pentadecylresorcinol
CID 76617
4-(1-Phenylethyl)-1,3-benzenediol
CID 11171903
Bis(2-hydroxyphenyl)methane
CID 75575
Olivetol
CID 10377

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol;1,3,5-trimethylbenzene?
The IUPAC name of benzene-1,3,5-triol;1,3,5-trimethylbenzene (CID 175059565) is benzene-1,3,5-triol;1,3,5-trimethylbenzene.
What is the SMILES notation for benzene-1,3,5-triol;1,3,5-trimethylbenzene?
The canonical SMILES for benzene-1,3,5-triol;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.Oc1cc(O)cc(O)c1.
What is the InChIKey of benzene-1,3,5-triol;1,3,5-trimethylbenzene?
The InChIKey is MCUOCFXGNXJACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H6O3/c1-7-4-8(2)6-9(3)5-7;7-4-1-5(8)3-6(9)2-4/h4-6H,1-3H3;1-3,7-9H.
What are the key properties of benzene-1,3,5-triol;1,3,5-trimethylbenzene?
benzene-1,3,5-triol;1,3,5-trimethylbenzene has a molecular weight of 246.31 g/mol, XLogP of 3.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol;1,3,5-trimethylbenzene is sourced from PubChem (CID 175059565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).