1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol

C15H22O2 — CID 114992024

IUPAC1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol
SMILESCC(C)OCCC(O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H22O2/c1-12(2)17-11-8-14(16)15(9-10-15)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3
InChIKeyFVEIKWCZZRCLRM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds6

About 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol

1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol (PubChem CID 114992024) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol.

Molecular Properties

Compound Name1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol
PubChem CID114992024
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol
SMILESCC(C)OCCC(O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H22O2/c1-12(2)17-11-8-14(16)15(9-10-15)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3
InChIKeyFVEIKWCZZRCLRM-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol?
The IUPAC name of 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol (CID 114992024) is 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol.
What is the SMILES notation for 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol?
The canonical SMILES for 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol is CC(C)OCCC(O)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol?
The InChIKey is FVEIKWCZZRCLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12(2)17-11-8-14(16)15(9-10-15)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3.
What are the key properties of 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol?
1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropyl)-3-propan-2-yloxypropan-1-ol is sourced from PubChem (CID 114992024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).