1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol

C14H20O2 — CID 117117355

IUPAC1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol
SMILESCOC(C)(C)Cc1cccc(C2(O)CC2)c1
InChIInChI=1S/C14H20O2/c1-13(2,16-3)10-11-5-4-6-12(9-11)14(15)7-8-14/h4-6,9,15H,7-8,10H2,1-3H3
InChIKeyPABYVXYECFIUAL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.64
Rot. Bonds4

About 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol

1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol (PubChem CID 117117355) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol
PubChem CID117117355
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol
SMILESCOC(C)(C)Cc1cccc(C2(O)CC2)c1
InChIInChI=1S/C14H20O2/c1-13(2,16-3)10-11-5-4-6-12(9-11)14(15)7-8-14/h4-6,9,15H,7-8,10H2,1-3H3
InChIKeyPABYVXYECFIUAL-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol (CID 117117355) is 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol is COC(C)(C)Cc1cccc(C2(O)CC2)c1.
What is the InChIKey of 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol?
The InChIKey is PABYVXYECFIUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-13(2,16-3)10-11-5-4-6-12(9-11)14(15)7-8-14/h4-6,9,15H,7-8,10H2,1-3H3.
What are the key properties of 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol?
1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117117355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).