1-methoxy-4-(3-propan-2-ylphenyl)benzene

C16H18O — CID 20871880

IUPAC1-methoxy-4-(3-propan-2-ylphenyl)benzene
SMILESCOc1ccc(-c2cccc(C(C)C)c2)cc1
InChIInChI=1S/C16H18O/c1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13/h4-12H,1-3H3
InChIKeyLJOIBJXDBYINLY-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.49
Rot. Bonds3

About 1-methoxy-4-(3-propan-2-ylphenyl)benzene

1-methoxy-4-(3-propan-2-ylphenyl)benzene (PubChem CID 20871880) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methoxy-4-(3-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(3-propan-2-ylphenyl)benzene
PubChem CID20871880
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-methoxy-4-(3-propan-2-ylphenyl)benzene
SMILESCOc1ccc(-c2cccc(C(C)C)c2)cc1
InChIInChI=1S/C16H18O/c1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13/h4-12H,1-3H3
InChIKeyLJOIBJXDBYINLY-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-(3-propan-2-ylphenyl)anthracene
CID 175212128
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
3-(4-methoxyphenyl)-5-propan-2-ylpyridine
CID 59144720
1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)pyridine
CID 158741701
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-methoxy-6-phenylnaphthalene
CID 11253308

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3-propan-2-ylphenyl)benzene?
The IUPAC name of 1-methoxy-4-(3-propan-2-ylphenyl)benzene (CID 20871880) is 1-methoxy-4-(3-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-methoxy-4-(3-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-methoxy-4-(3-propan-2-ylphenyl)benzene is COc1ccc(-c2cccc(C(C)C)c2)cc1.
What is the InChIKey of 1-methoxy-4-(3-propan-2-ylphenyl)benzene?
The InChIKey is LJOIBJXDBYINLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13/h4-12H,1-3H3.
What are the key properties of 1-methoxy-4-(3-propan-2-ylphenyl)benzene?
1-methoxy-4-(3-propan-2-ylphenyl)benzene has a molecular weight of 226.32 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3-propan-2-ylphenyl)benzene is sourced from PubChem (CID 20871880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).