[3-ethyl-4-(oxolan-2-yl)phenyl]methanol

C13H18O2 — CID 123620746

IUPAC[3-ethyl-4-(oxolan-2-yl)phenyl]methanol
SMILESCCc1cc(CO)ccc1C1CCCO1
InChIInChI=1S/C13H18O2/c1-2-11-8-10(9-14)5-6-12(11)13-4-3-7-15-13/h5-6,8,13-14H,2-4,7,9H2,1H3
InChIKeyTYFYWEZETQYFAW-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.59
Rot. Bonds3

About [3-ethyl-4-(oxolan-2-yl)phenyl]methanol

[3-ethyl-4-(oxolan-2-yl)phenyl]methanol (PubChem CID 123620746) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is [3-ethyl-4-(oxolan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-ethyl-4-(oxolan-2-yl)phenyl]methanol
PubChem CID123620746
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name[3-ethyl-4-(oxolan-2-yl)phenyl]methanol
SMILESCCc1cc(CO)ccc1C1CCCO1
InChIInChI=1S/C13H18O2/c1-2-11-8-10(9-14)5-6-12(11)13-4-3-7-15-13/h5-6,8,13-14H,2-4,7,9H2,1H3
InChIKeyTYFYWEZETQYFAW-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(oxolan-2-yl)phenyl]methanol?
The IUPAC name of [3-ethyl-4-(oxolan-2-yl)phenyl]methanol (CID 123620746) is [3-ethyl-4-(oxolan-2-yl)phenyl]methanol.
What is the SMILES notation for [3-ethyl-4-(oxolan-2-yl)phenyl]methanol?
The canonical SMILES for [3-ethyl-4-(oxolan-2-yl)phenyl]methanol is CCc1cc(CO)ccc1C1CCCO1.
What is the InChIKey of [3-ethyl-4-(oxolan-2-yl)phenyl]methanol?
The InChIKey is TYFYWEZETQYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-11-8-10(9-14)5-6-12(11)13-4-3-7-15-13/h5-6,8,13-14H,2-4,7,9H2,1H3.
What are the key properties of [3-ethyl-4-(oxolan-2-yl)phenyl]methanol?
[3-ethyl-4-(oxolan-2-yl)phenyl]methanol has a molecular weight of 206.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(oxolan-2-yl)phenyl]methanol is sourced from PubChem (CID 123620746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).