[2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol

C16H24O2 — CID 142437635

IUPAC[2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol
SMILESCCCCC1CCC(Cc2ccccc2CO)O1
InChIInChI=1S/C16H24O2/c1-2-3-8-15-9-10-16(18-15)11-13-6-4-5-7-14(13)12-17/h4-7,15-17H,2-3,8-12H2,1H3
InChIKeyPTIREKQCDLTGDK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.46
Rot. Bonds6

About [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol

[2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol (PubChem CID 142437635) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol
PubChem CID142437635
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol
SMILESCCCCC1CCC(Cc2ccccc2CO)O1
InChIInChI=1S/C16H24O2/c1-2-3-8-15-9-10-16(18-15)11-13-6-4-5-7-14(13)12-17/h4-7,15-17H,2-3,8-12H2,1H3
InChIKeyPTIREKQCDLTGDK-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol?
The IUPAC name of [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol (CID 142437635) is [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol.
What is the SMILES notation for [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol?
The canonical SMILES for [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol is CCCCC1CCC(Cc2ccccc2CO)O1.
What is the InChIKey of [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol?
The InChIKey is PTIREKQCDLTGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-8-15-9-10-16(18-15)11-13-6-4-5-7-14(13)12-17/h4-7,15-17H,2-3,8-12H2,1H3.
What are the key properties of [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol?
[2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol has a molecular weight of 248.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-butyloxolan-2-yl)methyl]phenyl]methanol is sourced from PubChem (CID 142437635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).