1-(113C)methoxy-4-methylbenzene

C8H10O — CID 166176950

IUPAC1-(113C)methoxy-4-methylbenzene
SMILESCc1ccc(O[13CH3])cc1
InChIInChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3/i2+1
InChIKeyCHLICZRVGGXEOD-VQEHIDDOSA-N
MW123.16 g/mol
LogP2.00
Rot. Bonds1

About 1-(113C)methoxy-4-methylbenzene

1-(113C)methoxy-4-methylbenzene (PubChem CID 166176950) has the molecular formula C8H10O and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-(113C)methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-(113C)methoxy-4-methylbenzene
PubChem CID166176950
Molecular FormulaC8H10O
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-(113C)methoxy-4-methylbenzene
SMILESCc1ccc(O[13CH3])cc1
InChIInChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3/i2+1
InChIKeyCHLICZRVGGXEOD-VQEHIDDOSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
4-methoxyphenol;4-methylphenol
CID 158312507
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747

Frequently Asked Questions

What is the IUPAC name of 1-(113C)methoxy-4-methylbenzene?
The IUPAC name of 1-(113C)methoxy-4-methylbenzene (CID 166176950) is 1-(113C)methoxy-4-methylbenzene.
What is the SMILES notation for 1-(113C)methoxy-4-methylbenzene?
The canonical SMILES for 1-(113C)methoxy-4-methylbenzene is Cc1ccc(O[13CH3])cc1.
What is the InChIKey of 1-(113C)methoxy-4-methylbenzene?
The InChIKey is CHLICZRVGGXEOD-VQEHIDDOSA-N. The full InChI is InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3/i2+1.
What are the key properties of 1-(113C)methoxy-4-methylbenzene?
1-(113C)methoxy-4-methylbenzene has a molecular weight of 123.16 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(113C)methoxy-4-methylbenzene is sourced from PubChem (CID 166176950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).