6-(oxiran-2-yl)-1-phenyloctan-4-ol

C16H24O2 — CID 90772894

IUPAC6-(oxiran-2-yl)-1-phenyloctan-4-ol
SMILESCCC(CC(O)CCCc1ccccc1)C1CO1
InChIInChI=1S/C16H24O2/c1-2-14(16-12-18-16)11-15(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-17H,2,6,9-12H2,1H3
InChIKeyCOYKNACNZRCJKV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.19
Rot. Bonds8

About 6-(oxiran-2-yl)-1-phenyloctan-4-ol

6-(oxiran-2-yl)-1-phenyloctan-4-ol (PubChem CID 90772894) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-(oxiran-2-yl)-1-phenyloctan-4-ol.

Molecular Properties

Compound Name6-(oxiran-2-yl)-1-phenyloctan-4-ol
PubChem CID90772894
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-(oxiran-2-yl)-1-phenyloctan-4-ol
SMILESCCC(CC(O)CCCc1ccccc1)C1CO1
InChIInChI=1S/C16H24O2/c1-2-14(16-12-18-16)11-15(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-17H,2,6,9-12H2,1H3
InChIKeyCOYKNACNZRCJKV-UHFFFAOYSA-N
XLogP3.19
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968
1-chloro-7-phenylheptan-4-ol
CID 54140253
1-phenylheptan-3-ol
CID 10420110
5-phenyl-1-propylsulfanylpentan-2-ol
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CID 159337252
4-methyl-7-phenylheptan-2-ol
CID 64718783
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
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CID 62606393

Frequently Asked Questions

What is the IUPAC name of 6-(oxiran-2-yl)-1-phenyloctan-4-ol?
The IUPAC name of 6-(oxiran-2-yl)-1-phenyloctan-4-ol (CID 90772894) is 6-(oxiran-2-yl)-1-phenyloctan-4-ol.
What is the SMILES notation for 6-(oxiran-2-yl)-1-phenyloctan-4-ol?
The canonical SMILES for 6-(oxiran-2-yl)-1-phenyloctan-4-ol is CCC(CC(O)CCCc1ccccc1)C1CO1.
What is the InChIKey of 6-(oxiran-2-yl)-1-phenyloctan-4-ol?
The InChIKey is COYKNACNZRCJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-14(16-12-18-16)11-15(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-17H,2,6,9-12H2,1H3.
What are the key properties of 6-(oxiran-2-yl)-1-phenyloctan-4-ol?
6-(oxiran-2-yl)-1-phenyloctan-4-ol has a molecular weight of 248.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxiran-2-yl)-1-phenyloctan-4-ol is sourced from PubChem (CID 90772894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).