(4-phenyloxan-4-yl)methanol

C12H16O2 — CID 54772595

IUPAC(4-phenyloxan-4-yl)methanol
SMILESOCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H16O2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyOHKBZOSLGDHFQS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.73
Rot. Bonds2

About (4-phenyloxan-4-yl)methanol

(4-phenyloxan-4-yl)methanol (PubChem CID 54772595) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)methanol.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)methanol
PubChem CID54772595
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(4-phenyloxan-4-yl)methanol
SMILESOCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H16O2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyOHKBZOSLGDHFQS-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)methanol?
The IUPAC name of (4-phenyloxan-4-yl)methanol (CID 54772595) is (4-phenyloxan-4-yl)methanol.
What is the SMILES notation for (4-phenyloxan-4-yl)methanol?
The canonical SMILES for (4-phenyloxan-4-yl)methanol is OCC1(c2ccccc2)CCOCC1.
What is the InChIKey of (4-phenyloxan-4-yl)methanol?
The InChIKey is OHKBZOSLGDHFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2.
What are the key properties of (4-phenyloxan-4-yl)methanol?
(4-phenyloxan-4-yl)methanol has a molecular weight of 192.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)methanol is sourced from PubChem (CID 54772595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).