oxan-2-yl-(4-propan-2-yloxyphenyl)methanol

C15H22O3 — CID 62215174

IUPACoxan-2-yl-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)C2CCCCO2)cc1
InChIInChI=1S/C15H22O3/c1-11(2)18-13-8-6-12(7-9-13)15(16)14-5-3-4-10-17-14/h6-9,11,14-16H,3-5,10H2,1-2H3
InChIKeyWOGOULZGSIRCFB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.08
Rot. Bonds4

About oxan-2-yl-(4-propan-2-yloxyphenyl)methanol

oxan-2-yl-(4-propan-2-yloxyphenyl)methanol (PubChem CID 62215174) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is oxan-2-yl-(4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Nameoxan-2-yl-(4-propan-2-yloxyphenyl)methanol
PubChem CID62215174
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameoxan-2-yl-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)C2CCCCO2)cc1
InChIInChI=1S/C15H22O3/c1-11(2)18-13-8-6-12(7-9-13)15(16)14-5-3-4-10-17-14/h6-9,11,14-16H,3-5,10H2,1-2H3
InChIKeyWOGOULZGSIRCFB-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
CID 62214641
furan-3-yl(oxan-2-yl)methanol
CID 115797283
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol
CID 80621973
[2-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105267564
(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
CID 115828914
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-(4-propan-2-yloxyphenyl)methanol?
The IUPAC name of oxan-2-yl-(4-propan-2-yloxyphenyl)methanol (CID 62215174) is oxan-2-yl-(4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for oxan-2-yl-(4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for oxan-2-yl-(4-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccc(C(O)C2CCCCO2)cc1.
What is the InChIKey of oxan-2-yl-(4-propan-2-yloxyphenyl)methanol?
The InChIKey is WOGOULZGSIRCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)18-13-8-6-12(7-9-13)15(16)14-5-3-4-10-17-14/h6-9,11,14-16H,3-5,10H2,1-2H3.
What are the key properties of oxan-2-yl-(4-propan-2-yloxyphenyl)methanol?
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol has a molecular weight of 250.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-(4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 62215174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).