1-[1-(3-phenoxypropyl)cyclopropyl]ethanol

C14H20O2 — CID 106798155

IUPAC1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
SMILESCC(O)C1(CCCOc2ccccc2)CC1
InChIInChI=1S/C14H20O2/c1-12(15)14(9-10-14)8-5-11-16-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3
InChIKeyIYJJSKDKPLLIFV-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.01
Rot. Bonds6

About 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol

1-[1-(3-phenoxypropyl)cyclopropyl]ethanol (PubChem CID 106798155) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
PubChem CID106798155
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
SMILESCC(O)C1(CCCOc2ccccc2)CC1
InChIInChI=1S/C14H20O2/c1-12(15)14(9-10-14)8-5-11-16-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3
InChIKeyIYJJSKDKPLLIFV-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.01
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

[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
4-methyl-7-phenoxyheptan-3-ol
CID 63562397
1,5-diphenoxypentan-3-ol
CID 5314309
[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol
CID 42566482
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165
3-(3-chloro-1-methylcyclopentyl)propoxybenzene
CID 116540356

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol?
The IUPAC name of 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol (CID 106798155) is 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol?
The canonical SMILES for 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol is CC(O)C1(CCCOc2ccccc2)CC1.
What is the InChIKey of 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol?
The InChIKey is IYJJSKDKPLLIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(15)14(9-10-14)8-5-11-16-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3.
What are the key properties of 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol?
1-[1-(3-phenoxypropyl)cyclopropyl]ethanol has a molecular weight of 220.31 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenoxypropyl)cyclopropyl]ethanol is sourced from PubChem (CID 106798155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).