1,3-dimethoxy-5-methylbenzene;methane

C10H16O2 — CID 142906999

IUPAC1,3-dimethoxy-5-methylbenzene;methane
SMILESC.COc1cc(C)cc(OC)c1
InChIInChI=1S/C9H12O2.CH4/c1-7-4-8(10-2)6-9(5-7)11-3;/h4-6H,1-3H3;1H4
InChIKeyCLWNHJJWSCKEEE-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.65
Rot. Bonds2

About 1,3-dimethoxy-5-methylbenzene;methane

1,3-dimethoxy-5-methylbenzene;methane (PubChem CID 142906999) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methylbenzene;methane.

Molecular Properties

Compound Name1,3-dimethoxy-5-methylbenzene;methane
PubChem CID142906999
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,3-dimethoxy-5-methylbenzene;methane
SMILESC.COc1cc(C)cc(OC)c1
InChIInChI=1S/C9H12O2.CH4/c1-7-4-8(10-2)6-9(5-7)11-3;/h4-6H,1-3H3;1H4
InChIKeyCLWNHJJWSCKEEE-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
phosphane;1,3,5-trimethoxybenzene
CID 175232895
3-methoxy-5-methylbenzenethiol
CID 22504719
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
CID 87072267
2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
2-(3,5-dimethoxyphenyl)-1,3,5-trimethylbenzene
CID 132567017
(3-methoxy-5-methylphenyl)-methyloxidanium
CID 143118319
(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate
CID 596736
(3-methoxy-5-methylphenyl)-methyl-oxoazanium
CID 123749235
ethane;1-methoxy-3-methyl-5-methylsulfanylbenzene
CID 143780161

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-methylbenzene;methane?
The IUPAC name of 1,3-dimethoxy-5-methylbenzene;methane (CID 142906999) is 1,3-dimethoxy-5-methylbenzene;methane.
What is the SMILES notation for 1,3-dimethoxy-5-methylbenzene;methane?
The canonical SMILES for 1,3-dimethoxy-5-methylbenzene;methane is C.COc1cc(C)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-methylbenzene;methane?
The InChIKey is CLWNHJJWSCKEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.CH4/c1-7-4-8(10-2)6-9(5-7)11-3;/h4-6H,1-3H3;1H4.
What are the key properties of 1,3-dimethoxy-5-methylbenzene;methane?
1,3-dimethoxy-5-methylbenzene;methane has a molecular weight of 168.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methylbenzene;methane is sourced from PubChem (CID 142906999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).