3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol

C16H24O2 — CID 63084011

IUPAC3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol
SMILESCC(C)(c1ccccc1)C(O)CC1CCOCC1
InChIInChI=1S/C16H24O2/c1-16(2,14-6-4-3-5-7-14)15(17)12-13-8-10-18-11-9-13/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyLLQPBXOGKGVNSG-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.14
Rot. Bonds4

About 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol

3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol (PubChem CID 63084011) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol
PubChem CID63084011
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol
SMILESCC(C)(c1ccccc1)C(O)CC1CCOCC1
InChIInChI=1S/C16H24O2/c1-16(2,14-6-4-3-5-7-14)15(17)12-13-8-10-18-11-9-13/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyLLQPBXOGKGVNSG-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
3-methyl-1-(oxan-4-yl)butane-2,3-diol
CID 103448944
3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
CID 116751875
3-methyl-3-morpholin-4-yl-1-(oxan-4-yl)butan-2-ol
CID 79044827
4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
CID 115789666
4-(3-chloro-2-methyl-3-phenylpropyl)oxane
CID 104846457
2-methyl-1-(oxan-4-yl)-3-phenylpropan-2-ol
CID 63010539
2,5-dimethyl-N-(oxan-4-ylmethyl)-2-phenoxyhex-4-en-3-amine
CID 142475237
2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
CID 63083238
1-(oxan-4-yl)-3-phenylpropan-2-amine
CID 62606455
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120588866
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
CID 120790392

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol (CID 63084011) is 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol is CC(C)(c1ccccc1)C(O)CC1CCOCC1.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol?
The InChIKey is LLQPBXOGKGVNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(2,14-6-4-3-5-7-14)15(17)12-13-8-10-18-11-9-13/h3-7,13,15,17H,8-12H2,1-2H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol?
3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-3-phenylbutan-2-ol is sourced from PubChem (CID 63084011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).