1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene

C17H20O2 — CID 174337570

IUPAC1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
SMILESCc1cccc(OCc2ccccc2)c1OC(C)C
InChIInChI=1S/C17H20O2/c1-13(2)19-17-14(3)8-7-11-16(17)18-12-15-9-5-4-6-10-15/h4-11,13H,12H2,1-3H3
InChIKeyQIBCPPKHZCIAHV-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.36
Rot. Bonds5

About 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene

1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene (PubChem CID 174337570) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
PubChem CID174337570
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
SMILESCc1cccc(OCc2ccccc2)c1OC(C)C
InChIInChI=1S/C17H20O2/c1-13(2)19-17-14(3)8-7-11-16(17)18-12-15-9-5-4-6-10-15/h4-11,13H,12H2,1-3H3
InChIKeyQIBCPPKHZCIAHV-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene with MolForge

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

Launch Full Analysis

Related Compounds

(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
1-hydroxy-6-phenylmethoxy-7-propan-2-yloxy-3H-2,1-benzoxaborole
CID 90462457
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218
1-methyl-3-phenyl-2-propan-2-yloxybenzene
CID 101215172
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
CID 163194899
3-methyl-7-phenylmethoxy-1-benzofuran
CID 126750980
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene?
The IUPAC name of 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene (CID 174337570) is 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene?
The canonical SMILES for 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene is Cc1cccc(OCc2ccccc2)c1OC(C)C.
What is the InChIKey of 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene?
The InChIKey is QIBCPPKHZCIAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)19-17-14(3)8-7-11-16(17)18-12-15-9-5-4-6-10-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene?
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene has a molecular weight of 256.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene is sourced from PubChem (CID 174337570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).