(2-methoxy-1-phenylpropyl)benzene

C16H18O — CID 10878874

IUPAC(2-methoxy-1-phenylpropyl)benzene
SMILESCOC(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O/c1-13(17-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyBMBZTPUEGVQLCI-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.85
Rot. Bonds4

About (2-methoxy-1-phenylpropyl)benzene

(2-methoxy-1-phenylpropyl)benzene (PubChem CID 10878874) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is (2-methoxy-1-phenylpropyl)benzene.

Molecular Properties

Compound Name(2-methoxy-1-phenylpropyl)benzene
PubChem CID10878874
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name(2-methoxy-1-phenylpropyl)benzene
SMILESCOC(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O/c1-13(17-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKeyBMBZTPUEGVQLCI-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-1-phenylpropyl)benzene?
The IUPAC name of (2-methoxy-1-phenylpropyl)benzene (CID 10878874) is (2-methoxy-1-phenylpropyl)benzene.
What is the SMILES notation for (2-methoxy-1-phenylpropyl)benzene?
The canonical SMILES for (2-methoxy-1-phenylpropyl)benzene is COC(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methoxy-1-phenylpropyl)benzene?
The InChIKey is BMBZTPUEGVQLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-13(17-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3.
What are the key properties of (2-methoxy-1-phenylpropyl)benzene?
(2-methoxy-1-phenylpropyl)benzene has a molecular weight of 226.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-1-phenylpropyl)benzene is sourced from PubChem (CID 10878874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).