2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol

C15H22O — CID 178015326

IUPAC2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol
SMILESCC(C)=C(CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O/c1-11(2)14(10-16)12-6-8-13(9-7-12)15(3,4)5/h6-9,16H,10H2,1-5H3
InChIKeyJMFWIXSSVBXNQU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.77
Rot. Bonds2

About 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol

2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol (PubChem CID 178015326) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol
PubChem CID178015326
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol
SMILESCC(C)=C(CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O/c1-11(2)14(10-16)12-6-8-13(9-7-12)15(3,4)5/h6-9,16H,10H2,1-5H3
InChIKeyJMFWIXSSVBXNQU-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-2-methylbut-2-en-1-ol
CID 57275528
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
CID 176916029
1-(4-bromo-3-methylbut-2-en-2-yl)-4-tert-butylbenzene
CID 57144020
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
CID 87905685
CID 87905685
1-tert-butyl-4-(1-diazoethyl)benzene
CID 102470296
1-(4-tert-butylphenyl)ethanimine
CID 20718021
1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
CID 147586552
CID 67550053
CID 67550053
4-tert-butylbenzoic acid;copper
CID 67780260

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol (CID 178015326) is 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol is CC(C)=C(CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol?
The InChIKey is JMFWIXSSVBXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)14(10-16)12-6-8-13(9-7-12)15(3,4)5/h6-9,16H,10H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol?
2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol is sourced from PubChem (CID 178015326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).