(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol

C14H20O — CID 176916029

IUPAC(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
SMILESC/C(=C/CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-11(9-10-15)12-5-7-13(8-6-12)14(2,3)4/h5-9,15H,10H2,1-4H3/b11-9-
InChIKeyIUKNFCUAOHUZTL-LUAWRHEFSA-N
MW204.31 g/mol
LogP3.38
Rot. Bonds2

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

(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol (PubChem CID 176916029) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
PubChem CID176916029
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
SMILESC/C(=C/CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-11(9-10-15)12-5-7-13(8-6-12)14(2,3)4/h5-9,15H,10H2,1-4H3/b11-9-
InChIKeyIUKNFCUAOHUZTL-LUAWRHEFSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
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3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
CID 91173371
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
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CID 135060356
3-(4-tert-butylphenyl)-2-methylbut-2-en-1-ol
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2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol
CID 178015326
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
(Z)-4-amino-4-(4-tert-butylphenyl)-1-hydroxybut-3-en-2-one
CID 117062251
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
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[amino-(4-tert-butylphenyl)methylidene]azanium
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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol?
The IUPAC name of (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol (CID 176916029) is (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol.
What is the SMILES notation for (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol?
The canonical SMILES for (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol is C/C(=C/CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol?
The InChIKey is IUKNFCUAOHUZTL-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H20O/c1-11(9-10-15)12-5-7-13(8-6-12)14(2,3)4/h5-9,15H,10H2,1-4H3/b11-9-.
What are the key properties of (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol?
(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-tert-butylphenyl)but-2-en-1-ol is sourced from PubChem (CID 176916029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).