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

C16H24O2 — CID 65162334

IUPAC1-(oxolan-2-yl)-3-phenylhexan-3-ol
SMILESCCCC(O)(CCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H24O2/c1-2-11-16(17,14-7-4-3-5-8-14)12-10-15-9-6-13-18-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyDVQJBWXHIPPTLC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.63
Rot. Bonds6

About 1-(oxolan-2-yl)-3-phenylhexan-3-ol

1-(oxolan-2-yl)-3-phenylhexan-3-ol (PubChem CID 65162334) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-phenylhexan-3-ol.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-phenylhexan-3-ol
PubChem CID65162334
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(oxolan-2-yl)-3-phenylhexan-3-ol
SMILESCCCC(O)(CCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H24O2/c1-2-11-16(17,14-7-4-3-5-8-14)12-10-15-9-6-13-18-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3
InChIKeyDVQJBWXHIPPTLC-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
1-chloro-5-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 116696380
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
3-benzyl-6-(oxolan-2-yl)hexan-3-ol
CID 79008182
1-cyclopentyl-2-phenylpentan-2-ol
CID 65147061
1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
2-(2-methylphenyl)-2-[2-(oxolan-2-yl)ethyl]propane-1,3-diol
CID 79450140
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
CID 156747530
3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
CID 65161613
1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea
CID 95324860
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-phenylhexan-3-ol?
The IUPAC name of 1-(oxolan-2-yl)-3-phenylhexan-3-ol (CID 65162334) is 1-(oxolan-2-yl)-3-phenylhexan-3-ol.
What is the SMILES notation for 1-(oxolan-2-yl)-3-phenylhexan-3-ol?
The canonical SMILES for 1-(oxolan-2-yl)-3-phenylhexan-3-ol is CCCC(O)(CCC1CCCO1)c1ccccc1.
What is the InChIKey of 1-(oxolan-2-yl)-3-phenylhexan-3-ol?
The InChIKey is DVQJBWXHIPPTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-11-16(17,14-7-4-3-5-8-14)12-10-15-9-6-13-18-15/h3-5,7-8,15,17H,2,6,9-13H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-3-phenylhexan-3-ol?
1-(oxolan-2-yl)-3-phenylhexan-3-ol has a molecular weight of 248.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-phenylhexan-3-ol is sourced from PubChem (CID 65162334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).