[3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene

C19H21BrO — CID 22897446

IUPAC[3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene
SMILESBrCC1CCC(OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H21BrO/c20-13-17-11-12-18(19(17)16-9-5-2-6-10-16)21-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2
InChIKeyVLBGFAOIRVACRM-UHFFFAOYSA-N
MW345.28 g/mol
LogP5.16
Rot. Bonds5

About [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene

[3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene (PubChem CID 22897446) has the molecular formula C19H21BrO and a molecular weight of 345.28 g/mol. Its IUPAC name is [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene.

Molecular Properties

Compound Name[3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene
PubChem CID22897446
Molecular FormulaC19H21BrO
Molecular Weight345.28 g/mol
Exact Mass344.08
IUPAC Name[3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene
SMILESBrCC1CCC(OCc2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H21BrO/c20-13-17-11-12-18(19(17)16-9-5-2-6-10-16)21-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2
InChIKeyVLBGFAOIRVACRM-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.28
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine
CID 75024257
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene?
The IUPAC name of [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene (CID 22897446) is [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene.
What is the SMILES notation for [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene?
The canonical SMILES for [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene is BrCC1CCC(OCc2ccccc2)C1c1ccccc1.
What is the InChIKey of [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene?
The InChIKey is VLBGFAOIRVACRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO/c20-13-17-11-12-18(19(17)16-9-5-2-6-10-16)21-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2.
What are the key properties of [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene?
[3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene has a molecular weight of 345.28 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-2-phenylcyclopentyl]oxymethylbenzene is sourced from PubChem (CID 22897446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).