4-benzyl-1-methoxy-2-phenylbenzene

C20H18O — CID 19420150

IUPAC4-benzyl-1-methoxy-2-phenylbenzene
SMILESCOc1ccc(Cc2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C20H18O/c1-21-20-13-12-17(14-16-8-4-2-5-9-16)15-19(20)18-10-6-3-7-11-18/h2-13,15H,14H2,1H3
InChIKeyRMKARBNZIWHGFG-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.95
Rot. Bonds4

About 4-benzyl-1-methoxy-2-phenylbenzene

4-benzyl-1-methoxy-2-phenylbenzene (PubChem CID 19420150) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-benzyl-1-methoxy-2-phenylbenzene.

Molecular Properties

Compound Name4-benzyl-1-methoxy-2-phenylbenzene
PubChem CID19420150
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name4-benzyl-1-methoxy-2-phenylbenzene
SMILESCOc1ccc(Cc2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C20H18O/c1-21-20-13-12-17(14-16-8-4-2-5-9-16)15-19(20)18-10-6-3-7-11-18/h2-13,15H,14H2,1H3
InChIKeyRMKARBNZIWHGFG-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(bromomethyl)-1-methoxy-2-phenylbenzene
CID 143810171
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
O-[2-(4-methoxy-3-phenylphenyl)ethyl]hydroxylamine
CID 117360142
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
(5-benzyl-2-methoxyphenyl)methanethiol
CID 170413203
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
(5-benzyl-2-methoxyphenyl)methanediol
CID 70401164
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
CID 11569608
1-(5-benzyl-2-methoxyphenyl)ethanone
CID 10681517
2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methoxy-2-phenylbenzene?
The IUPAC name of 4-benzyl-1-methoxy-2-phenylbenzene (CID 19420150) is 4-benzyl-1-methoxy-2-phenylbenzene.
What is the SMILES notation for 4-benzyl-1-methoxy-2-phenylbenzene?
The canonical SMILES for 4-benzyl-1-methoxy-2-phenylbenzene is COc1ccc(Cc2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 4-benzyl-1-methoxy-2-phenylbenzene?
The InChIKey is RMKARBNZIWHGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-21-20-13-12-17(14-16-8-4-2-5-9-16)15-19(20)18-10-6-3-7-11-18/h2-13,15H,14H2,1H3.
What are the key properties of 4-benzyl-1-methoxy-2-phenylbenzene?
4-benzyl-1-methoxy-2-phenylbenzene has a molecular weight of 274.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methoxy-2-phenylbenzene is sourced from PubChem (CID 19420150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).