4-methoxy-2-phenyl-1-propan-2-ylbenzene

C16H18O — CID 118344819

IUPAC4-methoxy-2-phenyl-1-propan-2-ylbenzene
SMILESCOc1ccc(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C16H18O/c1-12(2)15-10-9-14(17-3)11-16(15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyONVOTBAIFVLJBD-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.49
Rot. Bonds3

About 4-methoxy-2-phenyl-1-propan-2-ylbenzene

4-methoxy-2-phenyl-1-propan-2-ylbenzene (PubChem CID 118344819) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methoxy-2-phenyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-methoxy-2-phenyl-1-propan-2-ylbenzene
PubChem CID118344819
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name4-methoxy-2-phenyl-1-propan-2-ylbenzene
SMILESCOc1ccc(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C16H18O/c1-12(2)15-10-9-14(17-3)11-16(15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyONVOTBAIFVLJBD-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

4-(5-methoxy-2-propan-2-ylphenyl)-2-methylphenol
CID 167587585
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
(5-methoxy-2-phenylphenyl)silane
CID 137328723
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
1-ethynyl-4-methoxy-2-phenylbenzene
CID 101442294
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1-(4-chlorophenyl)-4-methoxy-2-propan-2-ylbenzene
CID 59664827
2-(5-methoxy-2-propan-2-ylphenyl)-1,3-oxazole
CID 59772468
4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene
CID 21034216
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol
CID 91537786

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenyl-1-propan-2-ylbenzene?
The IUPAC name of 4-methoxy-2-phenyl-1-propan-2-ylbenzene (CID 118344819) is 4-methoxy-2-phenyl-1-propan-2-ylbenzene.
What is the SMILES notation for 4-methoxy-2-phenyl-1-propan-2-ylbenzene?
The canonical SMILES for 4-methoxy-2-phenyl-1-propan-2-ylbenzene is COc1ccc(C(C)C)c(-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-phenyl-1-propan-2-ylbenzene?
The InChIKey is ONVOTBAIFVLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12(2)15-10-9-14(17-3)11-16(15)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 4-methoxy-2-phenyl-1-propan-2-ylbenzene?
4-methoxy-2-phenyl-1-propan-2-ylbenzene 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 4-methoxy-2-phenyl-1-propan-2-ylbenzene is sourced from PubChem (CID 118344819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).