5-phenylmethoxypent-2-ene-1,4-diol

C12H16O3 — CID 85308041

IUPAC5-phenylmethoxypent-2-ene-1,4-diol
SMILESOCC=CC(O)COCc1ccccc1
InChIInChI=1S/C12H16O3/c13-8-4-7-12(14)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2
InChIKeyUYHOWSWKBVLNEL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.11
Rot. Bonds6

About 5-phenylmethoxypent-2-ene-1,4-diol

5-phenylmethoxypent-2-ene-1,4-diol (PubChem CID 85308041) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-phenylmethoxypent-2-ene-1,4-diol.

Molecular Properties

Compound Name5-phenylmethoxypent-2-ene-1,4-diol
PubChem CID85308041
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5-phenylmethoxypent-2-ene-1,4-diol
SMILESOCC=CC(O)COCc1ccccc1
InChIInChI=1S/C12H16O3/c13-8-4-7-12(14)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2
InChIKeyUYHOWSWKBVLNEL-UHFFFAOYSA-N
XLogP1.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(E)-1-phenylmethoxyhept-3-en-2-ol
CID 134897437
(Z,2S,6S)-7-chloro-1-phenylmethoxyhept-3-ene-2,6-diol
CID 10492308
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
(E,2R)-1-phenylmethoxyhex-3-en-5-yn-2-ol
CID 11805773
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
CID 70426552
(E,4R,5S)-4-methyl-7-phenylmethoxyhept-2-ene-1,5-diol
CID 11770840
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
CID 6393557
(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol
CID 102403075
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxypent-2-ene-1,4-diol?
The IUPAC name of 5-phenylmethoxypent-2-ene-1,4-diol (CID 85308041) is 5-phenylmethoxypent-2-ene-1,4-diol.
What is the SMILES notation for 5-phenylmethoxypent-2-ene-1,4-diol?
The canonical SMILES for 5-phenylmethoxypent-2-ene-1,4-diol is OCC=CC(O)COCc1ccccc1.
What is the InChIKey of 5-phenylmethoxypent-2-ene-1,4-diol?
The InChIKey is UYHOWSWKBVLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-8-4-7-12(14)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2.
What are the key properties of 5-phenylmethoxypent-2-ene-1,4-diol?
5-phenylmethoxypent-2-ene-1,4-diol has a molecular weight of 208.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxypent-2-ene-1,4-diol is sourced from PubChem (CID 85308041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).