4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol

C17H24O2 — CID 65167277

IUPAC4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
SMILESOC(CCCC1CCCO1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H24O2/c18-16(10-4-8-15-9-5-13-19-15)17(11-12-17)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2
InChIKeyGKSVYHSFYQLXMA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.43
Rot. Bonds6

About 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol

4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol (PubChem CID 65167277) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
PubChem CID65167277
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
SMILESOC(CCCC1CCCO1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H24O2/c18-16(10-4-8-15-9-5-13-19-15)17(11-12-17)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2
InChIKeyGKSVYHSFYQLXMA-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol?
The IUPAC name of 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol (CID 65167277) is 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol?
The canonical SMILES for 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol is OC(CCCC1CCCO1)C1(c2ccccc2)CC1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol?
The InChIKey is GKSVYHSFYQLXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-16(10-4-8-15-9-5-13-19-15)17(11-12-17)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2.
What are the key properties of 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol?
4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol is sourced from PubChem (CID 65167277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).