oxan-4-yl-(1-phenylcyclobutyl)methanol

C16H22O2 — CID 63936880

IUPACoxan-4-yl-(1-phenylcyclobutyl)methanol
SMILESOC(C1CCOCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H22O2/c17-15(13-7-11-18-12-8-13)16(9-4-10-16)14-5-2-1-3-6-14/h1-3,5-6,13,15,17H,4,7-12H2
InChIKeyROHJJHXTJBVFPV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.90
Rot. Bonds3

About oxan-4-yl-(1-phenylcyclobutyl)methanol

oxan-4-yl-(1-phenylcyclobutyl)methanol (PubChem CID 63936880) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is oxan-4-yl-(1-phenylcyclobutyl)methanol.

Molecular Properties

Compound Nameoxan-4-yl-(1-phenylcyclobutyl)methanol
PubChem CID63936880
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Nameoxan-4-yl-(1-phenylcyclobutyl)methanol
SMILESOC(C1CCOCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H22O2/c17-15(13-7-11-18-12-8-13)16(9-4-10-16)14-5-2-1-3-6-14/h1-3,5-6,13,15,17H,4,7-12H2
InChIKeyROHJJHXTJBVFPV-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(1-phenylcyclobutyl)methanol?
The IUPAC name of oxan-4-yl-(1-phenylcyclobutyl)methanol (CID 63936880) is oxan-4-yl-(1-phenylcyclobutyl)methanol.
What is the SMILES notation for oxan-4-yl-(1-phenylcyclobutyl)methanol?
The canonical SMILES for oxan-4-yl-(1-phenylcyclobutyl)methanol is OC(C1CCOCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of oxan-4-yl-(1-phenylcyclobutyl)methanol?
The InChIKey is ROHJJHXTJBVFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-15(13-7-11-18-12-8-13)16(9-4-10-16)14-5-2-1-3-6-14/h1-3,5-6,13,15,17H,4,7-12H2.
What are the key properties of oxan-4-yl-(1-phenylcyclobutyl)methanol?
oxan-4-yl-(1-phenylcyclobutyl)methanol has a molecular weight of 246.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(1-phenylcyclobutyl)methanol is sourced from PubChem (CID 63936880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).