(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol

C13H18O — CID 89151097

IUPAC(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
SMILESCCc1cccc(/C=C/C[C@H](C)O)c1
InChIInChI=1S/C13H18O/c1-3-12-7-5-9-13(10-12)8-4-6-11(2)14/h4-5,7-11,14H,3,6H2,1-2H3/b8-4+/t11-/m0/s1
InChIKeyQEDHDYXRSYBCFA-VUQUXZKVSA-N
MW190.29 g/mol
LogP3.03
Rot. Bonds4

About (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol

(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol (PubChem CID 89151097) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
PubChem CID89151097
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
SMILESCCc1cccc(/C=C/C[C@H](C)O)c1
InChIInChI=1S/C13H18O/c1-3-12-7-5-9-13(10-12)8-4-6-11(2)14/h4-5,7-11,14H,3,6H2,1-2H3/b8-4+/t11-/m0/s1
InChIKeyQEDHDYXRSYBCFA-VUQUXZKVSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(E,2R)-5-(3-ethylphenyl)-2-methylpent-4-en-1-ol
CID 89151077
4-(3-ethylphenyl)but-3-en-2-one
CID 174630959
1-(3-ethylphenyl)propan-2-ol
CID 85092525
(E)-4-(3-ethylphenyl)-2,2-dimethylbut-3-en-1-ol
CID 89151080
1-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene
CID 141236827
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
(2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoic acid
CID 22003641
ethane;(3-ethylphenyl)methanimine
CID 142246285
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
(E)-3-(3-ethylphenyl)-2-methylprop-2-enoic acid
CID 135263218
1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174285880
ethyl 4-(4-hydroxypent-1-enyl)benzoate
CID 68918809

Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol?
The IUPAC name of (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol (CID 89151097) is (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol.
What is the SMILES notation for (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol?
The canonical SMILES for (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol is CCc1cccc(/C=C/C[C@H](C)O)c1.
What is the InChIKey of (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol?
The InChIKey is QEDHDYXRSYBCFA-VUQUXZKVSA-N. The full InChI is InChI=1S/C13H18O/c1-3-12-7-5-9-13(10-12)8-4-6-11(2)14/h4-5,7-11,14H,3,6H2,1-2H3/b8-4+/t11-/m0/s1.
What are the key properties of (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol?
(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol has a molecular weight of 190.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol is sourced from PubChem (CID 89151097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).