(Z,2R)-1-phenylmethoxyhex-4-en-2-ol

C13H18O2 — CID 10352950

IUPAC(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
SMILESC/C=C\C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-3-9-13(14)11-15-10-12-7-5-4-6-8-12/h2-8,13-14H,9-11H2,1H3/b3-2-/t13-/m1/s1
InChIKeyZFFODMSTNAIGGR-XQJDBVBESA-N
MW206.29 g/mol
LogP2.53
Rot. Bonds6

About (Z,2R)-1-phenylmethoxyhex-4-en-2-ol

(Z,2R)-1-phenylmethoxyhex-4-en-2-ol (PubChem CID 10352950) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (Z,2R)-1-phenylmethoxyhex-4-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
PubChem CID10352950
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
SMILESC/C=C\C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-3-9-13(14)11-15-10-12-7-5-4-6-8-12/h2-8,13-14H,9-11H2,1H3/b3-2-/t13-/m1/s1
InChIKeyZFFODMSTNAIGGR-XQJDBVBESA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.53
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

(E)-5-(benzenesulfinyl)-1-phenylmethoxypent-4-en-2-ol
CID 46217340
(Z,2S,6S)-7-chloro-1-phenylmethoxyhept-3-ene-2,6-diol
CID 10492308
(Z)-1-phenylmethoxy-5-(3-phenylpropoxy)pent-4-en-2-ol
CID 10087776
CID 172760983
CID 172760983
6-methyl-7-phenylmethoxyhept-2-en-4-ol
CID 57213229
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol
CID 66827710
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
(E)-1-phenylmethoxyhept-3-en-2-ol
CID 134897437
1-phenylmethoxyhex-4-yn-2-ol
CID 14428391

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-1-phenylmethoxyhex-4-en-2-ol?
The IUPAC name of (Z,2R)-1-phenylmethoxyhex-4-en-2-ol (CID 10352950) is (Z,2R)-1-phenylmethoxyhex-4-en-2-ol.
What is the SMILES notation for (Z,2R)-1-phenylmethoxyhex-4-en-2-ol?
The canonical SMILES for (Z,2R)-1-phenylmethoxyhex-4-en-2-ol is C/C=C\C[C@@H](O)COCc1ccccc1.
What is the InChIKey of (Z,2R)-1-phenylmethoxyhex-4-en-2-ol?
The InChIKey is ZFFODMSTNAIGGR-XQJDBVBESA-N. The full InChI is InChI=1S/C13H18O2/c1-2-3-9-13(14)11-15-10-12-7-5-4-6-8-12/h2-8,13-14H,9-11H2,1H3/b3-2-/t13-/m1/s1.
What are the key properties of (Z,2R)-1-phenylmethoxyhex-4-en-2-ol?
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol has a molecular weight of 206.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-1-phenylmethoxyhex-4-en-2-ol is sourced from PubChem (CID 10352950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).