2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol

C13H18O2 — CID 65331645

IUPAC2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
SMILESCc1ccc(CC(O)C2CCCO2)cc1
InChIInChI=1S/C13H18O2/c1-10-4-6-11(7-5-10)9-12(14)13-3-2-8-15-13/h4-7,12-14H,2-3,8-9H2,1H3
InChIKeyPXJHTOKBGJHHKP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.08
Rot. Bonds3

About 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol

2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol (PubChem CID 65331645) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
PubChem CID65331645
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
SMILESCc1ccc(CC(O)C2CCCO2)cc1
InChIInChI=1S/C13H18O2/c1-10-4-6-11(7-5-10)9-12(14)13-3-2-8-15-13/h4-7,12-14H,2-3,8-9H2,1H3
InChIKeyPXJHTOKBGJHHKP-UHFFFAOYSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
2-(furan-3-yl)-1-(oxolan-2-yl)ethanol
CID 83172570
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787220
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol
CID 105412847
N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 62549112
2-(2-bromothiophen-3-yl)-1-(oxolan-2-yl)ethanol
CID 130921302
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol?
The IUPAC name of 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol (CID 65331645) is 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol.
What is the SMILES notation for 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol?
The canonical SMILES for 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol is Cc1ccc(CC(O)C2CCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol?
The InChIKey is PXJHTOKBGJHHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-4-6-11(7-5-10)9-12(14)13-3-2-8-15-13/h4-7,12-14H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol?
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol is sourced from PubChem (CID 65331645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).