3-(2-phenyloxan-2-yl)propan-1-ol

C14H20O2 — CID 66685490

IUPAC3-(2-phenyloxan-2-yl)propan-1-ol
SMILESOCCCC1(c2ccccc2)CCCCO1
InChIInChI=1S/C14H20O2/c15-11-6-10-14(9-4-5-12-16-14)13-7-2-1-3-8-13/h1-3,7-8,15H,4-6,9-12H2
InChIKeyRDBSQFNSRONUOV-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.85
Rot. Bonds4

About 3-(2-phenyloxan-2-yl)propan-1-ol

3-(2-phenyloxan-2-yl)propan-1-ol (PubChem CID 66685490) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(2-phenyloxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-phenyloxan-2-yl)propan-1-ol
PubChem CID66685490
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-(2-phenyloxan-2-yl)propan-1-ol
SMILESOCCCC1(c2ccccc2)CCCCO1
InChIInChI=1S/C14H20O2/c15-11-6-10-14(9-4-5-12-16-14)13-7-2-1-3-8-13/h1-3,7-8,15H,4-6,9-12H2
InChIKeyRDBSQFNSRONUOV-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyloxan-2-yl)propan-1-ol?
The IUPAC name of 3-(2-phenyloxan-2-yl)propan-1-ol (CID 66685490) is 3-(2-phenyloxan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2-phenyloxan-2-yl)propan-1-ol?
The canonical SMILES for 3-(2-phenyloxan-2-yl)propan-1-ol is OCCCC1(c2ccccc2)CCCCO1.
What is the InChIKey of 3-(2-phenyloxan-2-yl)propan-1-ol?
The InChIKey is RDBSQFNSRONUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c15-11-6-10-14(9-4-5-12-16-14)13-7-2-1-3-8-13/h1-3,7-8,15H,4-6,9-12H2.
What are the key properties of 3-(2-phenyloxan-2-yl)propan-1-ol?
3-(2-phenyloxan-2-yl)propan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyloxan-2-yl)propan-1-ol is sourced from PubChem (CID 66685490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).