(E)-1-methoxy-5-phenylpent-4-en-2-ol

C12H16O2 — CID 11171527

IUPAC(E)-1-methoxy-5-phenylpent-4-en-2-ol
SMILESCOCC(O)C/C=C/c1ccccc1
InChIInChI=1S/C12H16O2/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11/h2-8,12-13H,9-10H2,1H3/b8-5+
InChIKeyMFWMLJFDAWZUPB-VMPITWQZSA-N
MW192.26 g/mol
LogP2.10
Rot. Bonds5

About (E)-1-methoxy-5-phenylpent-4-en-2-ol

(E)-1-methoxy-5-phenylpent-4-en-2-ol (PubChem CID 11171527) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E)-1-methoxy-5-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name(E)-1-methoxy-5-phenylpent-4-en-2-ol
PubChem CID11171527
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E)-1-methoxy-5-phenylpent-4-en-2-ol
SMILESCOCC(O)C/C=C/c1ccccc1
InChIInChI=1S/C12H16O2/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11/h2-8,12-13H,9-10H2,1H3/b8-5+
InChIKeyMFWMLJFDAWZUPB-VMPITWQZSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-2-butanol
CID 61302
1-Phenyl-2-pentanol
CID 61202
1-Phenyl-2-propanol
CID 94185
1-Phenyl-2-butanol
CID 92833
1-Phenyl-2-propanol, (-)-
CID 5324631
Benzaldehyde glyceryl acetal
CID 5463840
Benzenemethanol, alpha-(ethoxymethyl)-
CID 90768
4-Phenyl-2-butanol, (2R)-
CID 641354
(2R)-1-phenylbutan-2-ol
CID 7003733
4-Phenyl-2-butanol, (2S)-
CID 6994425
(2R)-3-phenylpropane-1,2-diol
CID 10953709
5-Phenylpent-4-enyl-1-ol
CID 5371695

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-5-phenylpent-4-en-2-ol?
The IUPAC name of (E)-1-methoxy-5-phenylpent-4-en-2-ol (CID 11171527) is (E)-1-methoxy-5-phenylpent-4-en-2-ol.
What is the SMILES notation for (E)-1-methoxy-5-phenylpent-4-en-2-ol?
The canonical SMILES for (E)-1-methoxy-5-phenylpent-4-en-2-ol is COCC(O)C/C=C/c1ccccc1.
What is the InChIKey of (E)-1-methoxy-5-phenylpent-4-en-2-ol?
The InChIKey is MFWMLJFDAWZUPB-VMPITWQZSA-N. The full InChI is InChI=1S/C12H16O2/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11/h2-8,12-13H,9-10H2,1H3/b8-5+.
What are the key properties of (E)-1-methoxy-5-phenylpent-4-en-2-ol?
(E)-1-methoxy-5-phenylpent-4-en-2-ol has a molecular weight of 192.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-5-phenylpent-4-en-2-ol is sourced from PubChem (CID 11171527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).