(3-ethylphenyl)-(5-methyloxolan-2-yl)methanol

C14H20O2 — CID 82837003

IUPAC(3-ethylphenyl)-(5-methyloxolan-2-yl)methanol
SMILESCCc1cccc(C(O)C2CCC(C)O2)c1
InChIInChI=1S/C14H20O2/c1-3-11-5-4-6-12(9-11)14(15)13-8-7-10(2)16-13/h4-6,9-10,13-15H,3,7-8H2,1-2H3
InChIKeyXCBNESIXHFDMDP-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.85
Rot. Bonds3

About (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol

(3-ethylphenyl)-(5-methyloxolan-2-yl)methanol (PubChem CID 82837003) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(3-ethylphenyl)-(5-methyloxolan-2-yl)methanol
PubChem CID82837003
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3-ethylphenyl)-(5-methyloxolan-2-yl)methanol
SMILESCCc1cccc(C(O)C2CCC(C)O2)c1
InChIInChI=1S/C14H20O2/c1-3-11-5-4-6-12(9-11)14(15)13-8-7-10(2)16-13/h4-6,9-10,13-15H,3,7-8H2,1-2H3
InChIKeyXCBNESIXHFDMDP-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyloxolan-2-yl)-phenylmethanol
CID 13239151
(3-ethylphenyl)-(5-methyloxolan-3-yl)methanol
CID 115823866
(3-bromo-4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 113438363
(5-methyloxolan-2-yl)-(4-phosphanylphenyl)methanol
CID 145143506
N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050748
(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanol
CID 81330791
(5-methyloxolan-2-yl)-quinolin-6-ylmethanol
CID 82837447
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 82838251
(3-fluoro-5-methylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82837227
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115788879
(4-cyclohexylphenyl)-(5-methyloxolan-2-yl)methanol
CID 81330285
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol?
The IUPAC name of (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol (CID 82837003) is (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol.
What is the SMILES notation for (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol?
The canonical SMILES for (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol is CCc1cccc(C(O)C2CCC(C)O2)c1.
What is the InChIKey of (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol?
The InChIKey is XCBNESIXHFDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-11-5-4-6-12(9-11)14(15)13-8-7-10(2)16-13/h4-6,9-10,13-15H,3,7-8H2,1-2H3.
What are the key properties of (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol?
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanol has a molecular weight of 220.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(5-methyloxolan-2-yl)methanol is sourced from PubChem (CID 82837003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).