4-(2-ethylphenyl)but-3-en-1-ol

C12H16O — CID 170476106

IUPAC4-(2-ethylphenyl)but-3-en-1-ol
SMILESCCc1ccccc1C=CCCO
InChIInChI=1S/C12H16O/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-5,7-9,13H,2,6,10H2,1H3
InChIKeyDXFPBBUVESHSMI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.64
Rot. Bonds4

About 4-(2-ethylphenyl)but-3-en-1-ol

4-(2-ethylphenyl)but-3-en-1-ol (PubChem CID 170476106) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(2-ethylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(2-ethylphenyl)but-3-en-1-ol
PubChem CID170476106
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-(2-ethylphenyl)but-3-en-1-ol
SMILESCCc1ccccc1C=CCCO
InChIInChI=1S/C12H16O/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-5,7-9,13H,2,6,10H2,1H3
InChIKeyDXFPBBUVESHSMI-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromobut-1-enyl)-2-ethylbenzene
CID 170497012
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
[2-[(Z)-dodec-1-enyl]phenyl]methanol
CID 124635447
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate
CID 135084302
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515
2-chloro-3-(4-hydroxybut-1-enyl)phenol
CID 170476157
3-[2-[(Z)-tridec-1-enyl]phenyl]propanoic acid
CID 70431836
1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
CID 102216000

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)but-3-en-1-ol?
The IUPAC name of 4-(2-ethylphenyl)but-3-en-1-ol (CID 170476106) is 4-(2-ethylphenyl)but-3-en-1-ol.
What is the SMILES notation for 4-(2-ethylphenyl)but-3-en-1-ol?
The canonical SMILES for 4-(2-ethylphenyl)but-3-en-1-ol is CCc1ccccc1C=CCCO.
What is the InChIKey of 4-(2-ethylphenyl)but-3-en-1-ol?
The InChIKey is DXFPBBUVESHSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h3-5,7-9,13H,2,6,10H2,1H3.
What are the key properties of 4-(2-ethylphenyl)but-3-en-1-ol?
4-(2-ethylphenyl)but-3-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)but-3-en-1-ol is sourced from PubChem (CID 170476106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).