(3,4-diethylphenyl)-(oxolan-2-yl)methanol

C15H22O2 — CID 113319177

IUPAC(3,4-diethylphenyl)-(oxolan-2-yl)methanol
SMILESCCc1ccc(C(O)C2CCCO2)cc1CC
InChIInChI=1S/C15H22O2/c1-3-11-7-8-13(10-12(11)4-2)15(16)14-6-5-9-17-14/h7-8,10,14-16H,3-6,9H2,1-2H3
InChIKeyDPQLROYSTHBWKY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds4

About (3,4-diethylphenyl)-(oxolan-2-yl)methanol

(3,4-diethylphenyl)-(oxolan-2-yl)methanol (PubChem CID 113319177) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(oxolan-2-yl)methanol.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(oxolan-2-yl)methanol
PubChem CID113319177
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3,4-diethylphenyl)-(oxolan-2-yl)methanol
SMILESCCc1ccc(C(O)C2CCCO2)cc1CC
InChIInChI=1S/C15H22O2/c1-3-11-7-8-13(10-12(11)4-2)15(16)14-6-5-9-17-14/h7-8,10,14-16H,3-6,9H2,1-2H3
InChIKeyDPQLROYSTHBWKY-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
CID 65331478
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213913
(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115482596
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200
N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174603
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
furan-3-yl(oxan-2-yl)methanol
CID 115797283
oxolan-2-yl(thiophen-3-yl)methanol
CID 65331077
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
1-(3,4-diethylphenyl)propan-1-ol
CID 115482676

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(oxolan-2-yl)methanol?
The IUPAC name of (3,4-diethylphenyl)-(oxolan-2-yl)methanol (CID 113319177) is (3,4-diethylphenyl)-(oxolan-2-yl)methanol.
What is the SMILES notation for (3,4-diethylphenyl)-(oxolan-2-yl)methanol?
The canonical SMILES for (3,4-diethylphenyl)-(oxolan-2-yl)methanol is CCc1ccc(C(O)C2CCCO2)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(oxolan-2-yl)methanol?
The InChIKey is DPQLROYSTHBWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-11-7-8-13(10-12(11)4-2)15(16)14-6-5-9-17-14/h7-8,10,14-16H,3-6,9H2,1-2H3.
What are the key properties of (3,4-diethylphenyl)-(oxolan-2-yl)methanol?
(3,4-diethylphenyl)-(oxolan-2-yl)methanol has a molecular weight of 234.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(oxolan-2-yl)methanol is sourced from PubChem (CID 113319177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).