phenol;1,2,3-trimethoxybenzene

C15H18O4 — CID 174871155

IUPACphenol;1,2,3-trimethoxybenzene
SMILESCOc1cccc(OC)c1OC.Oc1ccccc1
InChIInChI=1S/C9H12O3.C6H6O/c1-10-7-5-4-6-8(11-2)9(7)12-3;7-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5,7H
InChIKeyPVRUVSSYIOKSTB-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.10
Rot. Bonds3

About phenol;1,2,3-trimethoxybenzene

phenol;1,2,3-trimethoxybenzene (PubChem CID 174871155) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is phenol;1,2,3-trimethoxybenzene.

Molecular Properties

Compound Namephenol;1,2,3-trimethoxybenzene
PubChem CID174871155
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namephenol;1,2,3-trimethoxybenzene
SMILESCOc1cccc(OC)c1OC.Oc1ccccc1
InChIInChI=1S/C9H12O3.C6H6O/c1-10-7-5-4-6-8(11-2)9(7)12-3;7-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5,7H
InChIKeyPVRUVSSYIOKSTB-UHFFFAOYSA-N
XLogP3.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenol;1,2,3-trimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
methoxymethane;phenol
CID 18763564
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
(2,3-dimethoxyphenyl) trifluoromethanesulfonate
CID 22096593
methanol;1-methoxynaphthalene;neptunium
CID 157299455
azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
CID 174894869
ethane;phenol
CID 161156308
azane;2-methoxyphenol
CID 172717837
CID 66772828
CID 66772828
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746

Frequently Asked Questions

What is the IUPAC name of phenol;1,2,3-trimethoxybenzene?
The IUPAC name of phenol;1,2,3-trimethoxybenzene (CID 174871155) is phenol;1,2,3-trimethoxybenzene.
What is the SMILES notation for phenol;1,2,3-trimethoxybenzene?
The canonical SMILES for phenol;1,2,3-trimethoxybenzene is COc1cccc(OC)c1OC.Oc1ccccc1.
What is the InChIKey of phenol;1,2,3-trimethoxybenzene?
The InChIKey is PVRUVSSYIOKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.C6H6O/c1-10-7-5-4-6-8(11-2)9(7)12-3;7-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5,7H.
What are the key properties of phenol;1,2,3-trimethoxybenzene?
phenol;1,2,3-trimethoxybenzene has a molecular weight of 262.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;1,2,3-trimethoxybenzene is sourced from PubChem (CID 174871155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).