1-methoxy-4-methylbenzene;phenol

C14H16O2 — CID 167630836

IUPAC1-methoxy-4-methylbenzene;phenol
SMILESCOc1ccc(C)cc1.Oc1ccccc1
InChIInChI=1S/C8H10O.C6H6O/c1-7-3-5-8(9-2)6-4-7;7-6-4-2-1-3-5-6/h3-6H,1-2H3;1-5,7H
InChIKeyNTTPWRJTIQSJBE-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.40
Rot. Bonds1

About 1-methoxy-4-methylbenzene;phenol

1-methoxy-4-methylbenzene;phenol (PubChem CID 167630836) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-methoxy-4-methylbenzene;phenol.

Molecular Properties

Compound Name1-methoxy-4-methylbenzene;phenol
PubChem CID167630836
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-methoxy-4-methylbenzene;phenol
SMILESCOc1ccc(C)cc1.Oc1ccccc1
InChIInChI=1S/C8H10O.C6H6O/c1-7-3-5-8(9-2)6-4-7;7-6-4-2-1-3-5-6/h3-6H,1-2H3;1-5,7H
InChIKeyNTTPWRJTIQSJBE-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxyphenol;4-methylphenol
CID 158312507
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
anisole;ethane;iodomethane;phenol
CID 143200210
benzene-1,2-diol;4-methoxyphenol
CID 70292826
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
phenol;toluene;hydrate
CID 130237707
phenol;toluene;dihydrochloride
CID 174548899
methane;4-methoxyphenol
CID 159494332
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
methoxymethane;phenol
CID 18763564

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbenzene;phenol?
The IUPAC name of 1-methoxy-4-methylbenzene;phenol (CID 167630836) is 1-methoxy-4-methylbenzene;phenol.
What is the SMILES notation for 1-methoxy-4-methylbenzene;phenol?
The canonical SMILES for 1-methoxy-4-methylbenzene;phenol is COc1ccc(C)cc1.Oc1ccccc1.
What is the InChIKey of 1-methoxy-4-methylbenzene;phenol?
The InChIKey is NTTPWRJTIQSJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H6O/c1-7-3-5-8(9-2)6-4-7;7-6-4-2-1-3-5-6/h3-6H,1-2H3;1-5,7H.
What are the key properties of 1-methoxy-4-methylbenzene;phenol?
1-methoxy-4-methylbenzene;phenol has a molecular weight of 216.28 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylbenzene;phenol is sourced from PubChem (CID 167630836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).