2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol

C13H18O3 — CID 102346036

IUPAC2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol
SMILESCOc1ccc(C(O)CC2CC2(C)O)cc1
InChIInChI=1S/C13H18O3/c1-13(15)8-10(13)7-12(14)9-3-5-11(16-2)6-4-9/h3-6,10,12,14-15H,7-8H2,1-2H3
InChIKeyNDYGSULRPSGUEE-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.89
Rot. Bonds4

About 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol

2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol (PubChem CID 102346036) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol.

Molecular Properties

Compound Name2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol
PubChem CID102346036
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol
SMILESCOc1ccc(C(O)CC2CC2(C)O)cc1
InChIInChI=1S/C13H18O3/c1-13(15)8-10(13)7-12(14)9-3-5-11(16-2)6-4-9/h3-6,10,12,14-15H,7-8H2,1-2H3
InChIKeyNDYGSULRPSGUEE-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-piperidin-4-ylethanol
CID 84698858
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
(R)-1-adamantyl-(4-methoxyphenyl)methanol
CID 7064962
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol?
The IUPAC name of 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol (CID 102346036) is 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol.
What is the SMILES notation for 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol?
The canonical SMILES for 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol is COc1ccc(C(O)CC2CC2(C)O)cc1.
What is the InChIKey of 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol?
The InChIKey is NDYGSULRPSGUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(15)8-10(13)7-12(14)9-3-5-11(16-2)6-4-9/h3-6,10,12,14-15H,7-8H2,1-2H3.
What are the key properties of 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol?
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol is sourced from PubChem (CID 102346036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).