1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol

C19H30O2 — CID 173340987

IUPAC1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol
SMILESCCCC(O)(c1ccc(C(C)(C)C)cc1)C1CCOCC1
InChIInChI=1S/C19H30O2/c1-5-12-19(20,17-10-13-21-14-11-17)16-8-6-15(7-9-16)18(2,3)4/h6-9,17,20H,5,10-14H2,1-4H3
InChIKeyQXJDPYHWDZYVQA-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol

1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol (PubChem CID 173340987) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol
PubChem CID173340987
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol
SMILESCCCC(O)(c1ccc(C(C)(C)C)cc1)C1CCOCC1
InChIInChI=1S/C19H30O2/c1-5-12-19(20,17-10-13-21-14-11-17)16-8-6-15(7-9-16)18(2,3)4/h6-9,17,20H,5,10-14H2,1-4H3
InChIKeyQXJDPYHWDZYVQA-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol (CID 173340987) is 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol is CCCC(O)(c1ccc(C(C)(C)C)cc1)C1CCOCC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol?
The InChIKey is QXJDPYHWDZYVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-5-12-19(20,17-10-13-21-14-11-17)16-8-6-15(7-9-16)18(2,3)4/h6-9,17,20H,5,10-14H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol?
1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-(oxan-4-yl)butan-1-ol is sourced from PubChem (CID 173340987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).