1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol

C13H16O2 — CID 117292728

IUPAC1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(OCC3CC3)cc2)CC1
InChIInChI=1S/C13H16O2/c14-13(7-8-13)11-3-5-12(6-4-11)15-9-10-1-2-10/h3-6,10,14H,1-2,7-9H2
InChIKeyPYRKATNWFFXHGN-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.46
Rot. Bonds4

About 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol

1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol (PubChem CID 117292728) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol
PubChem CID117292728
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(OCC3CC3)cc2)CC1
InChIInChI=1S/C13H16O2/c14-13(7-8-13)11-3-5-12(6-4-11)15-9-10-1-2-10/h3-6,10,14H,1-2,7-9H2
InChIKeyPYRKATNWFFXHGN-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol (CID 117292728) is 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol is OC1(c2ccc(OCC3CC3)cc2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol?
The InChIKey is PYRKATNWFFXHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-13(7-8-13)11-3-5-12(6-4-11)15-9-10-1-2-10/h3-6,10,14H,1-2,7-9H2.
What are the key properties of 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol?
1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117292728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).