(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol

C13H18O2 — CID 135057186

IUPAC(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
SMILESC[C@@H](O)C/C=C\C[C@H](O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-11(14)7-5-6-10-13(15)12-8-3-2-4-9-12/h2-6,8-9,11,13-15H,7,10H2,1H3/b6-5-/t11-,13+/m1/s1
InChIKeyDOFQTASOXKSCJB-ANCZFUFASA-N
MW206.29 g/mol
LogP2.44
Rot. Bonds5

About (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol

(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol (PubChem CID 135057186) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol.

Molecular Properties

Compound Name(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
PubChem CID135057186
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
SMILESC[C@@H](O)C/C=C\C[C@H](O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-11(14)7-5-6-10-13(15)12-8-3-2-4-9-12/h2-6,8-9,11,13-15H,7,10H2,1H3/b6-5-/t11-,13+/m1/s1
InChIKeyDOFQTASOXKSCJB-ANCZFUFASA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
(E)-4-chloro-1-phenylbut-3-en-1-ol
CID 11240835
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
CID 124567652
(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
CID 44889759
4-ethoxy-1-phenylbut-3-en-1-ol
CID 4552736
(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol
CID 162404587
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
CID 12653805
(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol
CID 134895948

Frequently Asked Questions

What is the IUPAC name of (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol?
The IUPAC name of (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol (CID 135057186) is (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol.
What is the SMILES notation for (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol?
The canonical SMILES for (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol is C[C@@H](O)C/C=C\C[C@H](O)c1ccccc1.
What is the InChIKey of (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol?
The InChIKey is DOFQTASOXKSCJB-ANCZFUFASA-N. The full InChI is InChI=1S/C13H18O2/c1-11(14)7-5-6-10-13(15)12-8-3-2-4-9-12/h2-6,8-9,11,13-15H,7,10H2,1H3/b6-5-/t11-,13+/m1/s1.
What are the key properties of (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol?
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol has a molecular weight of 206.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S,6R)-1-phenylhept-3-ene-1,6-diol is sourced from PubChem (CID 135057186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).