2-ethoxy-1-phenylpent-4-en-1-ol

C13H18O2 — CID 12857067

IUPAC2-ethoxy-1-phenylpent-4-en-1-ol
SMILESC=CCC(OCC)C(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-8-12(15-4-2)13(14)11-9-6-5-7-10-11/h3,5-7,9-10,12-14H,1,4,8H2,2H3
InChIKeyPXTWWFTUSICDMS-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds6

About 2-ethoxy-1-phenylpent-4-en-1-ol

2-ethoxy-1-phenylpent-4-en-1-ol (PubChem CID 12857067) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-ethoxy-1-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-phenylpent-4-en-1-ol
PubChem CID12857067
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-ethoxy-1-phenylpent-4-en-1-ol
SMILESC=CCC(OCC)C(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-8-12(15-4-2)13(14)11-9-6-5-7-10-11/h3,5-7,9-10,12-14H,1,4,8H2,2H3
InChIKeyPXTWWFTUSICDMS-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
2-ethoxy-1,2-diphenylethanol
CID 3767197
[(1R,2S,3S)-1,2-dihydroxy-1-phenylhex-5-en-3-yl] prop-2-enoate
CID 135009042
[(1S,2R,3R)-1,2-dihydroxy-1-phenylhex-5-en-3-yl] prop-2-enoate
CID 134855892
(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
CID 102092831
ethyl 3-phenylhex-5-enoate
CID 11481375
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
3-propan-2-yloxyhex-5-en-2-ylbenzene
CID 46868302
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
(2-ethoxy-1-phenylbutyl)benzene
CID 15499938

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-phenylpent-4-en-1-ol?
The IUPAC name of 2-ethoxy-1-phenylpent-4-en-1-ol (CID 12857067) is 2-ethoxy-1-phenylpent-4-en-1-ol.
What is the SMILES notation for 2-ethoxy-1-phenylpent-4-en-1-ol?
The canonical SMILES for 2-ethoxy-1-phenylpent-4-en-1-ol is C=CCC(OCC)C(O)c1ccccc1.
What is the InChIKey of 2-ethoxy-1-phenylpent-4-en-1-ol?
The InChIKey is PXTWWFTUSICDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-8-12(15-4-2)13(14)11-9-6-5-7-10-11/h3,5-7,9-10,12-14H,1,4,8H2,2H3.
What are the key properties of 2-ethoxy-1-phenylpent-4-en-1-ol?
2-ethoxy-1-phenylpent-4-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-phenylpent-4-en-1-ol is sourced from PubChem (CID 12857067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).