[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol

C20H24O3 — CID 143710409

IUPAC[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
SMILESOCC1CCC(c2ccc(OCCOc3ccccc3)cc2)C1
InChIInChI=1S/C20H24O3/c21-15-16-6-7-18(14-16)17-8-10-20(11-9-17)23-13-12-22-19-4-2-1-3-5-19/h1-5,8-11,16,18,21H,6-7,12-15H2
InChIKeyWOOPDOKHXZOOGP-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.02
Rot. Bonds7

About [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol

[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol (PubChem CID 143710409) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
PubChem CID143710409
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
SMILESOCC1CCC(c2ccc(OCCOc3ccccc3)cc2)C1
InChIInChI=1S/C20H24O3/c21-15-16-6-7-18(14-16)17-8-10-20(11-9-17)23-13-12-22-19-4-2-1-3-5-19/h1-5,8-11,16,18,21H,6-7,12-15H2
InChIKeyWOOPDOKHXZOOGP-UHFFFAOYSA-N
XLogP4.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol
CID 143710483
3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide
CID 143710547
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
[4-[methyl(2-phenoxyethyl)amino]cyclohexyl]methanol;hydroiodide
CID 122144014
N-benzyl-1-[3-(4-methoxyphenyl)cyclopentyl]methanamine;hydrochloride
CID 18784188
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54805017

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol?
The IUPAC name of [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol (CID 143710409) is [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol.
What is the SMILES notation for [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol?
The canonical SMILES for [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol is OCC1CCC(c2ccc(OCCOc3ccccc3)cc2)C1.
What is the InChIKey of [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol?
The InChIKey is WOOPDOKHXZOOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c21-15-16-6-7-18(14-16)17-8-10-20(11-9-17)23-13-12-22-19-4-2-1-3-5-19/h1-5,8-11,16,18,21H,6-7,12-15H2.
What are the key properties of [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol?
[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol has a molecular weight of 312.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol is sourced from PubChem (CID 143710409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).