6-(oxolan-2-yl)-2-phenylhexan-3-ol

C16H24O2 — CID 65162298

IUPAC6-(oxolan-2-yl)-2-phenylhexan-3-ol
SMILESCC(c1ccccc1)C(O)CCCC1CCCO1
InChIInChI=1S/C16H24O2/c1-13(14-7-3-2-4-8-14)16(17)11-5-9-15-10-6-12-18-15/h2-4,7-8,13,15-17H,5-6,9-12H2,1H3
InChIKeyBDUGJTGVQMQWJP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.50
Rot. Bonds6

About 6-(oxolan-2-yl)-2-phenylhexan-3-ol

6-(oxolan-2-yl)-2-phenylhexan-3-ol (PubChem CID 65162298) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-(oxolan-2-yl)-2-phenylhexan-3-ol.

Molecular Properties

Compound Name6-(oxolan-2-yl)-2-phenylhexan-3-ol
PubChem CID65162298
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-(oxolan-2-yl)-2-phenylhexan-3-ol
SMILESCC(c1ccccc1)C(O)CCCC1CCCO1
InChIInChI=1S/C16H24O2/c1-13(14-7-3-2-4-8-14)16(17)11-5-9-15-10-6-12-18-15/h2-4,7-8,13,15-17H,5-6,9-12H2,1H3
InChIKeyBDUGJTGVQMQWJP-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-5-(oxolan-2-yl)-1-phenylpentan-2-ol
CID 116756915
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
2-(7-phenyloctyl)oxetane
CID 173415617
2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044
4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
CID 65167277
N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
CID 104992984
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine
CID 116773427
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-yl)-2-phenylhexan-3-ol?
The IUPAC name of 6-(oxolan-2-yl)-2-phenylhexan-3-ol (CID 65162298) is 6-(oxolan-2-yl)-2-phenylhexan-3-ol.
What is the SMILES notation for 6-(oxolan-2-yl)-2-phenylhexan-3-ol?
The canonical SMILES for 6-(oxolan-2-yl)-2-phenylhexan-3-ol is CC(c1ccccc1)C(O)CCCC1CCCO1.
What is the InChIKey of 6-(oxolan-2-yl)-2-phenylhexan-3-ol?
The InChIKey is BDUGJTGVQMQWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13(14-7-3-2-4-8-14)16(17)11-5-9-15-10-6-12-18-15/h2-4,7-8,13,15-17H,5-6,9-12H2,1H3.
What are the key properties of 6-(oxolan-2-yl)-2-phenylhexan-3-ol?
6-(oxolan-2-yl)-2-phenylhexan-3-ol has a molecular weight of 248.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-yl)-2-phenylhexan-3-ol is sourced from PubChem (CID 65162298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).