methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride

C9H17ClO3 — CID 155598920

IUPACmethanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
SMILESCO.COc1ccccc1C.Cl.O
InChIInChI=1S/C8H10O.CH4O.ClH.H2O/c1-7-5-3-4-6-8(7)9-2;1-2;;/h3-6H,1-2H3;2H,1H3;1H;1H2
InChIKeyTZBXDMBNLHNRKU-UHFFFAOYSA-N
MW208.69 g/mol
LogP1.21
Rot. Bonds1

About methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride

methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride (PubChem CID 155598920) has the molecular formula C9H17ClO3 and a molecular weight of 208.69 g/mol. Its IUPAC name is methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride.

Molecular Properties

Compound Namemethanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
PubChem CID155598920
Molecular FormulaC9H17ClO3
Molecular Weight208.69 g/mol
Exact Mass208.09
IUPAC Namemethanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
SMILESCO.COc1ccccc1C.Cl.O
InChIInChI=1S/C8H10O.CH4O.ClH.H2O/c1-7-5-3-4-6-8(7)9-2;1-2;;/h3-6H,1-2H3;2H,1H3;1H;1H2
InChIKeyTZBXDMBNLHNRKU-UHFFFAOYSA-N
XLogP1.21
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tris(1-methoxy-2-methylbenzene);propane
CID 158759517
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-methoxy-2-methylbenzene;1-methoxy-2,3,4-trimethylbenzene
CID 175567040
1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene
CID 102177255
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
azane;1,2-dimethoxybenzene
CID 174437926
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
4-chlorobenzaldehyde;1-methoxy-2-methylbenzene
CID 144659378
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
azane;2-methoxyphenol
CID 172717837
methyl-(2-methylphenoxy)borinic acid
CID 90155517

Frequently Asked Questions

What is the IUPAC name of methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride?
The IUPAC name of methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride (CID 155598920) is methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride.
What is the SMILES notation for methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride?
The canonical SMILES for methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride is CO.COc1ccccc1C.Cl.O.
What is the InChIKey of methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride?
The InChIKey is TZBXDMBNLHNRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.CH4O.ClH.H2O/c1-7-5-3-4-6-8(7)9-2;1-2;;/h3-6H,1-2H3;2H,1H3;1H;1H2.
What are the key properties of methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride?
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride is sourced from PubChem (CID 155598920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).