(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C18H26O2 — CID 114622122

IUPAC(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2ccccc2C2CC2)C(C)(C)O1
InChIInChI=1S/C18H26O2/c1-17(2)11-15(18(3,4)20-17)16(19)14-8-6-5-7-13(14)12-9-10-12/h5-8,12,15-16,19H,9-11H2,1-4H3
InChIKeyVMCCYGQYIGJVFO-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.19
Rot. Bonds3

About (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622122) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622122
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2ccccc2C2CC2)C(C)(C)O1
InChIInChI=1S/C18H26O2/c1-17(2)11-15(18(3,4)20-17)16(19)14-8-6-5-7-13(14)12-9-10-12/h5-8,12,15-16,19H,9-11H2,1-4H3
InChIKeyVMCCYGQYIGJVFO-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107969945
(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 106790557
quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107357753
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114885572
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622122) is (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2ccccc2C2CC2)C(C)(C)O1.
What is the InChIKey of (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is VMCCYGQYIGJVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-17(2)11-15(18(3,4)20-17)16(19)14-8-6-5-7-13(14)12-9-10-12/h5-8,12,15-16,19H,9-11H2,1-4H3.
What are the key properties of (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 274.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).