1-(oxolan-3-yl)-1-phenylpentane-1,5-diol

C15H22O3 — CID 70310975

IUPAC1-(oxolan-3-yl)-1-phenylpentane-1,5-diol
SMILESOCCCCC(O)(c1ccccc1)C1CCOC1
InChIInChI=1S/C15H22O3/c16-10-5-4-9-15(17,14-8-11-18-12-14)13-6-2-1-3-7-13/h1-3,6-7,14,16-17H,4-5,8-12H2
InChIKeyAFQMXRCGOZAOCB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds6

About 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol

1-(oxolan-3-yl)-1-phenylpentane-1,5-diol (PubChem CID 70310975) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-1-phenylpentane-1,5-diol
PubChem CID70310975
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(oxolan-3-yl)-1-phenylpentane-1,5-diol
SMILESOCCCCC(O)(c1ccccc1)C1CCOC1
InChIInChI=1S/C15H22O3/c16-10-5-4-9-15(17,14-8-11-18-12-14)13-6-2-1-3-7-13/h1-3,6-7,14,16-17H,4-5,8-12H2
InChIKeyAFQMXRCGOZAOCB-UHFFFAOYSA-N
XLogP2.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-(oxolan-3-yl)-1-phenylethanamine
CID 63563026
6-phenylheptane-1,6-diol
CID 11310303
2-(oxolan-3-yl)-1-phenylbutan-2-ol
CID 79007844
1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol
CID 173340987
13,13,13-triphenyltridecan-1-ol
CID 150406449
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
1-(2-chlorophenyl)-1-(oxolan-3-yl)ethanol
CID 63563409
N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide
CID 122243861
1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol
CID 115025222
1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
CID 115032739
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol?
The IUPAC name of 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol (CID 70310975) is 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol.
What is the SMILES notation for 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol?
The canonical SMILES for 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol is OCCCCC(O)(c1ccccc1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol?
The InChIKey is AFQMXRCGOZAOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c16-10-5-4-9-15(17,14-8-11-18-12-14)13-6-2-1-3-7-13/h1-3,6-7,14,16-17H,4-5,8-12H2.
What are the key properties of 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol?
1-(oxolan-3-yl)-1-phenylpentane-1,5-diol has a molecular weight of 250.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-1-phenylpentane-1,5-diol is sourced from PubChem (CID 70310975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).