(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol

C13H18O — CID 103091261

IUPAC(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
SMILESCCc1ccccc1/C=C(/C)C(C)O
InChIInChI=1S/C13H18O/c1-4-12-7-5-6-8-13(12)9-10(2)11(3)14/h5-9,11,14H,4H2,1-3H3/b10-9-
InChIKeyXSJKTVJCBINQJK-KTKRTIGZSA-N
MW190.29 g/mol
LogP3.03
Rot. Bonds3

About (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol

(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol (PubChem CID 103091261) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
PubChem CID103091261
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
SMILESCCc1ccccc1/C=C(/C)C(C)O
InChIInChI=1S/C13H18O/c1-4-12-7-5-6-8-13(12)9-10(2)11(3)14/h5-9,11,14H,4H2,1-3H3/b10-9-
InChIKeyXSJKTVJCBINQJK-KTKRTIGZSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
CID 171562977
3-(2-ethylphenyl)-2-methylprop-2-en-1-amine
CID 79328915
(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
(E)-4-(2,3-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091079
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
cyclohexane;1-ethyl-2-[(Z)-4-fluoro-3-methylidenepent-1-enyl]benzene
CID 169218480
1-ethenyl-2-(2-ethylbutyl)benzene
CID 22475782
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
CID 174879691
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol?
The IUPAC name of (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol (CID 103091261) is (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol?
The canonical SMILES for (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol is CCc1ccccc1/C=C(/C)C(C)O.
What is the InChIKey of (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol?
The InChIKey is XSJKTVJCBINQJK-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H18O/c1-4-12-7-5-6-8-13(12)9-10(2)11(3)14/h5-9,11,14H,4H2,1-3H3/b10-9-.
What are the key properties of (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol?
(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol has a molecular weight of 190.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103091261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).