1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene

C26H30O2 — CID 595030

IUPAC1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C26H30O2/c1-20(2)22-13-15-23(16-14-22)26(3,4)19-27-18-21-9-8-12-25(17-21)28-24-10-6-5-7-11-24/h5-17,20H,18-19H2,1-4H3
InChIKeySBFPPHPTUGWGRQ-UHFFFAOYSA-N
MW374.52 g/mol
LogP7.10
Rot. Bonds8

About 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene

1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene (PubChem CID 595030) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene
PubChem CID595030
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C26H30O2/c1-20(2)22-13-15-23(16-14-22)26(3,4)19-27-18-21-9-8-12-25(17-21)28-24-10-6-5-7-11-24/h5-17,20H,18-19H2,1-4H3
InChIKeySBFPPHPTUGWGRQ-UHFFFAOYSA-N
XLogP7.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene (CID 595030) is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene is CC(C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene?
The InChIKey is SBFPPHPTUGWGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-20(2)22-13-15-23(16-14-22)26(3,4)19-27-18-21-9-8-12-25(17-21)28-24-10-6-5-7-11-24/h5-17,20H,18-19H2,1-4H3.
What are the key properties of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene?
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene has a molecular weight of 374.52 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propan-2-ylbenzene is sourced from PubChem (CID 595030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).