(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C16H24O2 — CID 114622000

IUPAC(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCc1ccc(C(O)C2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C16H24O2/c1-11-6-8-12(9-7-11)14(17)13-10-15(2,3)18-16(13,4)5/h6-9,13-14,17H,10H2,1-5H3
InChIKeyVORHXKGFDNFHJB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.62
Rot. Bonds2

About (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622000) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622000
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCc1ccc(C(O)C2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C16H24O2/c1-11-6-8-12(9-7-11)14(17)13-10-15(2,3)18-16(13,4)5/h6-9,13-14,17H,10H2,1-5H3
InChIKeyVORHXKGFDNFHJB-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622000) is (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is Cc1ccc(C(O)C2CC(C)(C)OC2(C)C)cc1.
What is the InChIKey of (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is VORHXKGFDNFHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-6-8-12(9-7-11)14(17)13-10-15(2,3)18-16(13,4)5/h6-9,13-14,17H,10H2,1-5H3.
What are the key properties of (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 248.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).