3-(3-phenylpropoxy)cyclopentan-1-ol

C14H20O2 — CID 79632249

IUPAC3-(3-phenylpropoxy)cyclopentan-1-ol
SMILESOC1CCC(OCCCc2ccccc2)C1
InChIInChI=1S/C14H20O2/c15-13-8-9-14(11-13)16-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2
InChIKeyIDIFXCNBTLPDJC-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.55
Rot. Bonds5

About 3-(3-phenylpropoxy)cyclopentan-1-ol

3-(3-phenylpropoxy)cyclopentan-1-ol (PubChem CID 79632249) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(3-phenylpropoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(3-phenylpropoxy)cyclopentan-1-ol
PubChem CID79632249
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(3-phenylpropoxy)cyclopentan-1-ol
SMILESOC1CCC(OCCCc2ccccc2)C1
InChIInChI=1S/C14H20O2/c15-13-8-9-14(11-13)16-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2
InChIKeyIDIFXCNBTLPDJC-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutyl 3-(4-phenylbutoxy)cyclopentane-1-carboxylate
CID 77177493
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
2,2-diethyl-3-(3-phenylpropoxy)cyclobutan-1-ol
CID 66344797
2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041
2-cyclobutyloxyethylbenzene
CID 54003575
(2S,4R)-1-(2,2-diphenylacetyl)-4-(3-phenylpropoxy)piperidine-2-carboxylic acid
CID 71668042
3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol
CID 82789504
2-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]acetamide
CID 96558813
(2S,4R)-4-(4-phenylbutoxy)pyrrolidine-2-carboxylic acid
CID 137347871
4-(4-phenylbutoxy)-N-propylcyclohexan-1-amine
CID 114333026
2-(3-phenylpropoxy)cyclopentane-1-carboxylic acid
CID 114989996
(4-hydroxycyclohexyl) 3-phenylpropanoate
CID 132584936

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropoxy)cyclopentan-1-ol?
The IUPAC name of 3-(3-phenylpropoxy)cyclopentan-1-ol (CID 79632249) is 3-(3-phenylpropoxy)cyclopentan-1-ol.
What is the SMILES notation for 3-(3-phenylpropoxy)cyclopentan-1-ol?
The canonical SMILES for 3-(3-phenylpropoxy)cyclopentan-1-ol is OC1CCC(OCCCc2ccccc2)C1.
What is the InChIKey of 3-(3-phenylpropoxy)cyclopentan-1-ol?
The InChIKey is IDIFXCNBTLPDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-8-9-14(11-13)16-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2.
What are the key properties of 3-(3-phenylpropoxy)cyclopentan-1-ol?
3-(3-phenylpropoxy)cyclopentan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropoxy)cyclopentan-1-ol is sourced from PubChem (CID 79632249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).