(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol

C13H16O2 — CID 71601870

IUPAC(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
SMILESOC/C=C\C[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C13H16O2/c14-11-5-4-8-13(15)10-9-12-6-2-1-3-7-12/h1-7,9-10,13-15H,8,11H2/b5-4-,10-9+/t13-/m1/s1
InChIKeyHGJFJTITFIFLBR-WMQZNJAFSA-N
MW204.27 g/mol
LogP2.00
Rot. Bonds5

About (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol

(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol (PubChem CID 71601870) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol.

Molecular Properties

Compound Name(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
PubChem CID71601870
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
SMILESOC/C=C\C[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C13H16O2/c14-11-5-4-8-13(15)10-9-12-6-2-1-3-7-12/h1-7,9-10,13-15H,8,11H2/b5-4-,10-9+/t13-/m1/s1
InChIKeyHGJFJTITFIFLBR-WMQZNJAFSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.00
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

(2Z,5S,6E)-5-hydroxy-7-phenylhepta-2,6-dienoic acid
CID 162860051
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(1E,5E)-1-phenylhepta-1,5-dien-4-ol
CID 100975516
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E,3R)-1-phenylhex-1-en-5-yn-3-ol
CID 11041183
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
methyl (2E,5R,6E)-5-hydroxy-2-methyl-7-phenylhepta-2,6-dienoate
CID 101254320
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408

Frequently Asked Questions

What is the IUPAC name of (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol?
The IUPAC name of (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol (CID 71601870) is (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol.
What is the SMILES notation for (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol?
The canonical SMILES for (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol is OC/C=C\C[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol?
The InChIKey is HGJFJTITFIFLBR-WMQZNJAFSA-N. The full InChI is InChI=1S/C13H16O2/c14-11-5-4-8-13(15)10-9-12-6-2-1-3-7-12/h1-7,9-10,13-15H,8,11H2/b5-4-,10-9+/t13-/m1/s1.
What are the key properties of (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol?
(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol has a molecular weight of 204.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol is sourced from PubChem (CID 71601870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).