[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene

C17H18O — CID 100970284

IUPAC[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
SMILESC[C@]1(c2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C17H18O/c1-17(15-10-6-3-7-11-15)12-16(17)18-13-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-,17-/m1/s1
InChIKeyCGLHXNKKLZXCTJ-IAGOWNOFSA-N
MW238.33 g/mol
LogP3.93
Rot. Bonds4

About [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene

[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene (PubChem CID 100970284) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
PubChem CID100970284
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
SMILESC[C@]1(c2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C17H18O/c1-17(15-10-6-3-7-11-15)12-16(17)18-13-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-,17-/m1/s1
InChIKeyCGLHXNKKLZXCTJ-IAGOWNOFSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene 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

(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 172787553
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 70456584

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene?
The IUPAC name of [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene (CID 100970284) is [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene.
What is the SMILES notation for [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene?
The canonical SMILES for [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene is C[C@]1(c2ccccc2)C[C@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene?
The InChIKey is CGLHXNKKLZXCTJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18O/c1-17(15-10-6-3-7-11-15)12-16(17)18-13-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene?
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene has a molecular weight of 238.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene is sourced from PubChem (CID 100970284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).