1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene

C23H24O2 — CID 3067114

IUPAC1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H24O2/c1-23(2,20-11-5-3-6-12-20)18-24-17-19-10-9-15-22(16-19)25-21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3
InChIKeyNJOSRNFNOHCSCZ-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.97
Rot. Bonds7

About 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene

1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene (PubChem CID 3067114) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene.

Molecular Properties

Compound Name1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene
PubChem CID3067114
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C23H24O2/c1-23(2,20-11-5-3-6-12-20)18-24-17-19-10-9-15-22(16-19)25-21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3
InChIKeyNJOSRNFNOHCSCZ-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene?
The IUPAC name of 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene (CID 3067114) is 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene.
What is the SMILES notation for 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene?
The canonical SMILES for 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene?
The InChIKey is NJOSRNFNOHCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-23(2,20-11-5-3-6-12-20)18-24-17-19-10-9-15-22(16-19)25-21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3.
What are the key properties of 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene?
1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene has a molecular weight of 332.44 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2-phenylpropoxy)methyl]-3-phenoxybenzene is sourced from PubChem (CID 3067114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).