(3-methyloxolan-2-yl)-(2-methylphenyl)methanol

C13H18O2 — CID 114979278

IUPAC(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1OCCC1C
InChIInChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)12(14)13-10(2)7-8-15-13/h3-6,10,12-14H,7-8H2,1-2H3
InChIKeyTVBWDSOLLNMDMA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.45
Rot. Bonds2

About (3-methyloxolan-2-yl)-(2-methylphenyl)methanol

(3-methyloxolan-2-yl)-(2-methylphenyl)methanol (PubChem CID 114979278) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-(2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
PubChem CID114979278
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1OCCC1C
InChIInChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)12(14)13-10(2)7-8-15-13/h3-6,10,12-14H,7-8H2,1-2H3
InChIKeyTVBWDSOLLNMDMA-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol
CID 113319534
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
CID 115837861
(R)-(2-methylcyclopentyl)-(2-methylphenyl)methanol
CID 59207162
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115799765
(5-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 82838357
(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115820768
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
(3-methyloxolan-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 115796862
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
2-(2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115778550
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211

Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)-(2-methylphenyl)methanol?
The IUPAC name of (3-methyloxolan-2-yl)-(2-methylphenyl)methanol (CID 114979278) is (3-methyloxolan-2-yl)-(2-methylphenyl)methanol.
What is the SMILES notation for (3-methyloxolan-2-yl)-(2-methylphenyl)methanol?
The canonical SMILES for (3-methyloxolan-2-yl)-(2-methylphenyl)methanol is Cc1ccccc1C(O)C1OCCC1C.
What is the InChIKey of (3-methyloxolan-2-yl)-(2-methylphenyl)methanol?
The InChIKey is TVBWDSOLLNMDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-5-3-4-6-11(9)12(14)13-10(2)7-8-15-13/h3-6,10,12-14H,7-8H2,1-2H3.
What are the key properties of (3-methyloxolan-2-yl)-(2-methylphenyl)methanol?
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol has a molecular weight of 206.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)-(2-methylphenyl)methanol is sourced from PubChem (CID 114979278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).