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

C16H18O — CID 23110868

IUPAC1-methoxy-3-(3-propan-2-ylphenyl)benzene
SMILESCOc1cccc(-c2cccc(C(C)C)c2)c1
InChIInChI=1S/C16H18O/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17-3/h4-12H,1-3H3
InChIKeyWQNWKOWQNIHONN-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.49
Rot. Bonds3

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

1-methoxy-3-(3-propan-2-ylphenyl)benzene (PubChem CID 23110868) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methoxy-3-(3-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(3-propan-2-ylphenyl)benzene
PubChem CID23110868
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-methoxy-3-(3-propan-2-ylphenyl)benzene
SMILESCOc1cccc(-c2cccc(C(C)C)c2)c1
InChIInChI=1S/C16H18O/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17-3/h4-12H,1-3H3
InChIKeyWQNWKOWQNIHONN-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-4-(3-propan-2-ylphenyl)benzene
CID 20871880
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
CID 178169906
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
3-fluoro-2-methoxy-5-(3-propan-2-ylphenyl)pyridine
CID 167219030
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-propan-2-ylphenyl)benzene?
The IUPAC name of 1-methoxy-3-(3-propan-2-ylphenyl)benzene (CID 23110868) is 1-methoxy-3-(3-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-methoxy-3-(3-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-methoxy-3-(3-propan-2-ylphenyl)benzene is COc1cccc(-c2cccc(C(C)C)c2)c1.
What is the InChIKey of 1-methoxy-3-(3-propan-2-ylphenyl)benzene?
The InChIKey is WQNWKOWQNIHONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12(2)13-6-4-7-14(10-13)15-8-5-9-16(11-15)17-3/h4-12H,1-3H3.
What are the key properties of 1-methoxy-3-(3-propan-2-ylphenyl)benzene?
1-methoxy-3-(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-3-(3-propan-2-ylphenyl)benzene is sourced from PubChem (CID 23110868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).