2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol

C13H18O2 — CID 10632105

IUPAC2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol
SMILESCCC(/C=C/c1ccccc1)OCCO
InChIInChI=1S/C13H18O2/c1-2-13(15-11-10-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3/b9-8+
InChIKeyAQCLYMKZQJQMRY-CMDGGOBGSA-N
MW206.28 g/mol
LogP2.49
Rot. Bonds6

About 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol

2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol (PubChem CID 10632105) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol
PubChem CID10632105
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol
SMILESCCC(/C=C/c1ccccc1)OCCO
InChIInChI=1S/C13H18O2/c1-2-13(15-11-10-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3/b9-8+
InChIKeyAQCLYMKZQJQMRY-CMDGGOBGSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylbut-3-en-2-ol
CID 15172
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
2-[2-(Benzyloxy)ethoxy]ethan-1-ol
CID 229722
1-(Benzyloxy)propan-2-ol
CID 295955
3-(Benzyloxy)butan-2-ol
CID 561079
2-(Benzyloxy)propan-1-ol
CID 561825
beta-Ethoxybenzeneethanol
CID 3015860
(3-Methoxy-1-propenyl)benzene
CID 5462920
(2R)-1-(benzyloxy)propan-2-ol
CID 10953891
(2R,3E)-4-phenylbut-3-en-2-ol
CID 10986397
(S)-2-(benzyloxy)propan-1-ol
CID 11116416

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol?
The IUPAC name of 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol (CID 10632105) is 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol.
What is the SMILES notation for 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol?
The canonical SMILES for 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol is CCC(/C=C/c1ccccc1)OCCO.
What is the InChIKey of 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol?
The InChIKey is AQCLYMKZQJQMRY-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-13(15-11-10-14)9-8-12-6-4-3-5-7-12/h3-9,13-14H,2,10-11H2,1H3/b9-8+.
What are the key properties of 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol?
2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol has a molecular weight of 206.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-phenylpent-1-en-3-yl]oxyethanol is sourced from PubChem (CID 10632105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).