1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene

C12H15IO — CID 124747316

IUPAC1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene
SMILESC[C@H]1CC[C@H]1COc1cccc(I)c1
InChIInChI=1S/C12H15IO/c1-9-5-6-10(9)8-14-12-4-2-3-11(13)7-12/h2-4,7,9-10H,5-6,8H2,1H3/t9-,10-/m0/s1
InChIKeyRFVHRHWKAUGMAG-UWVGGRQHSA-N
MW302.15 g/mol
LogP3.72
Rot. Bonds3

About 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene

1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene (PubChem CID 124747316) has the molecular formula C12H15IO and a molecular weight of 302.15 g/mol. Its IUPAC name is 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene.

Molecular Properties

Compound Name1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene
PubChem CID124747316
Molecular FormulaC12H15IO
Molecular Weight302.15 g/mol
Exact Mass302.02
IUPAC Name1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene
SMILESC[C@H]1CC[C@H]1COc1cccc(I)c1
InChIInChI=1S/C12H15IO/c1-9-5-6-10(9)8-14-12-4-2-3-11(13)7-12/h2-4,7,9-10H,5-6,8H2,1H3/t9-,10-/m0/s1
InChIKeyRFVHRHWKAUGMAG-UWVGGRQHSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[[(1S,2S)-2-methylcyclobutyl]methoxy]aniline
CID 124855379
1-iodo-4-[[(1S,2R)-2-methylcyclobutyl]methoxy]benzene
CID 124748377
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
3-[[(1S,2S)-2-methylcyclopropyl]methoxy]aniline
CID 97034249
N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55077251
4-[(3-iodophenoxy)methyl]-1-(2,2,2-trifluoroethyl)piperidine;hydrochloride
CID 165429386
4-[2-(3-iodophenoxy)ethyl]piperidine
CID 105061225
2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360407
2-[(3-methylphenoxy)methyl]cyclohexan-1-ol
CID 58097648
1-iodo-3-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103179889
2-(3-iodophenoxy)acetaldehyde
CID 54101837
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62484968

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene?
The IUPAC name of 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene (CID 124747316) is 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene.
What is the SMILES notation for 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene?
The canonical SMILES for 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene is C[C@H]1CC[C@H]1COc1cccc(I)c1.
What is the InChIKey of 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene?
The InChIKey is RFVHRHWKAUGMAG-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H15IO/c1-9-5-6-10(9)8-14-12-4-2-3-11(13)7-12/h2-4,7,9-10H,5-6,8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene?
1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene has a molecular weight of 302.15 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[[(1R,2S)-2-methylcyclobutyl]methoxy]benzene is sourced from PubChem (CID 124747316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).