1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene

C17H20O2 — CID 60627362

IUPAC1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
SMILESCOc1cccc(COc2ccccc2C(C)C)c1
InChIInChI=1S/C17H20O2/c1-13(2)16-9-4-5-10-17(16)19-12-14-7-6-8-15(11-14)18-3/h4-11,13H,12H2,1-3H3
InChIKeyAQVRVZKNJFFMMJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.40
Rot. Bonds5

About 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene

1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene (PubChem CID 60627362) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
PubChem CID60627362
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
SMILESCOc1cccc(COc2ccccc2C(C)C)c1
InChIInChI=1S/C17H20O2/c1-13(2)16-9-4-5-10-17(16)19-12-14-7-6-8-15(11-14)18-3/h4-11,13H,12H2,1-3H3
InChIKeyAQVRVZKNJFFMMJ-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene 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

1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388
N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 112977430
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
(NE)-N-[1-[2-[(3-methoxyphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 43185600
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
1,5-dimethoxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-4-propan-2-ylbenzene
CID 68971378
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene?
The IUPAC name of 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene (CID 60627362) is 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene.
What is the SMILES notation for 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene?
The canonical SMILES for 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene is COc1cccc(COc2ccccc2C(C)C)c1.
What is the InChIKey of 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene?
The InChIKey is AQVRVZKNJFFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)16-9-4-5-10-17(16)19-12-14-7-6-8-15(11-14)18-3/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene?
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene has a molecular weight of 256.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene is sourced from PubChem (CID 60627362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).