1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol

C14H20O2 — CID 117117472

IUPAC1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol
SMILESCOC(C)Cc1cccc(CC2(O)CC2)c1
InChIInChI=1S/C14H20O2/c1-11(16-2)8-12-4-3-5-13(9-12)10-14(15)6-7-14/h3-5,9,11,15H,6-8,10H2,1-2H3
InChIKeyNKCYBRIFADAYGX-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.33
Rot. Bonds5

About 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol

1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117117472) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117117472
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol
SMILESCOC(C)Cc1cccc(CC2(O)CC2)c1
InChIInChI=1S/C14H20O2/c1-11(16-2)8-12-4-3-5-13(9-12)10-14(15)6-7-14/h3-5,9,11,15H,6-8,10H2,1-2H3
InChIKeyNKCYBRIFADAYGX-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol (CID 117117472) is 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol is COC(C)Cc1cccc(CC2(O)CC2)c1.
What is the InChIKey of 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is NKCYBRIFADAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(16-2)8-12-4-3-5-13(9-12)10-14(15)6-7-14/h3-5,9,11,15H,6-8,10H2,1-2H3.
What are the key properties of 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol?
1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117117472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).