(2-benzyloxolan-2-yl)methanol

C12H16O2 — CID 126987678

IUPAC(2-benzyloxolan-2-yl)methanol
SMILESOCC1(Cc2ccccc2)CCCO1
InChIInChI=1S/C12H16O2/c13-10-12(7-4-8-14-12)9-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKeyIKOVSQKQZLPXGC-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.77
Rot. Bonds3

About (2-benzyloxolan-2-yl)methanol

(2-benzyloxolan-2-yl)methanol (PubChem CID 126987678) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2-benzyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(2-benzyloxolan-2-yl)methanol
PubChem CID126987678
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2-benzyloxolan-2-yl)methanol
SMILESOCC1(Cc2ccccc2)CCCO1
InChIInChI=1S/C12H16O2/c13-10-12(7-4-8-14-12)9-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKeyIKOVSQKQZLPXGC-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzyloxolan-2-yl)methanol?
The IUPAC name of (2-benzyloxolan-2-yl)methanol (CID 126987678) is (2-benzyloxolan-2-yl)methanol.
What is the SMILES notation for (2-benzyloxolan-2-yl)methanol?
The canonical SMILES for (2-benzyloxolan-2-yl)methanol is OCC1(Cc2ccccc2)CCCO1.
What is the InChIKey of (2-benzyloxolan-2-yl)methanol?
The InChIKey is IKOVSQKQZLPXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-10-12(7-4-8-14-12)9-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2.
What are the key properties of (2-benzyloxolan-2-yl)methanol?
(2-benzyloxolan-2-yl)methanol has a molecular weight of 192.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyloxolan-2-yl)methanol is sourced from PubChem (CID 126987678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).