[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene

C16H24O3 — CID 122394514

IUPAC[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene
SMILESCOC(C[C@H]1CCC[C@H]1OCc1ccccc1)OC
InChIInChI=1S/C16H24O3/c1-17-16(18-2)11-14-9-6-10-15(14)19-12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,6,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyMBVYYWGQGXFAAN-HUUCEWRRSA-N
MW264.37 g/mol
LogP3.38
Rot. Bonds7

About [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene

[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene (PubChem CID 122394514) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene
PubChem CID122394514
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene
SMILESCOC(C[C@H]1CCC[C@H]1OCc1ccccc1)OC
InChIInChI=1S/C16H24O3/c1-17-16(18-2)11-14-9-6-10-15(14)19-12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,6,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyMBVYYWGQGXFAAN-HUUCEWRRSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
cis-(1R,2S)-1-[(2S)-2-methoxy-4-methylpent-4-enyl]-2-phenylmethoxycycloheptane
CID 122384803
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
CID 15200792
CID 15200792
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
[2-(isocyanatomethyl)cyclopentyl]oxymethylbenzene
CID 115038299
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
(E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol
CID 6442590
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene?
The IUPAC name of [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene (CID 122394514) is [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene.
What is the SMILES notation for [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene?
The canonical SMILES for [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene is COC(C[C@H]1CCC[C@H]1OCc1ccccc1)OC.
What is the InChIKey of [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene?
The InChIKey is MBVYYWGQGXFAAN-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24O3/c1-17-16(18-2)11-14-9-6-10-15(14)19-12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,6,9-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene?
[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene has a molecular weight of 264.37 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene is sourced from PubChem (CID 122394514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).