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

C13H18O2 — CID 60797370

IUPAC1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
SMILESCc1ccc(C(O)CC2CCCO2)cc1
InChIInChI=1S/C13H18O2/c1-10-4-6-11(7-5-10)13(14)9-12-3-2-8-15-12/h4-7,12-14H,2-3,8-9H2,1H3
InChIKeyYPPXXPFQFQWYDT-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.60
Rot. Bonds3

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

1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol (PubChem CID 60797370) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
PubChem CID60797370
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
SMILESCc1ccc(C(O)CC2CCCO2)cc1
InChIInChI=1S/C13H18O2/c1-10-4-6-11(7-5-10)13(14)9-12-3-2-8-15-12/h4-7,12-14H,2-3,8-9H2,1H3
InChIKeyYPPXXPFQFQWYDT-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
CID 66259192
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 65157893
1-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 43184114
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanol
CID 65149785

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol (CID 60797370) is 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol is Cc1ccc(C(O)CC2CCCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol?
The InChIKey is YPPXXPFQFQWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-4-6-11(7-5-10)13(14)9-12-3-2-8-15-12/h4-7,12-14H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol?
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 60797370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).