4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol

C19H22O2 — CID 10039429

IUPAC4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol
SMILESOc1ccc(CCC(O)CC/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-4,6-8,11-12,14-15,18,20-21H,5,9-10,13H2/b8-4+
InChIKeyPXPIJNMPDAFWSF-XBXARRHUSA-N
MW282.38 g/mol
LogP4.18
Rot. Bonds7

About 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol

4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol (PubChem CID 10039429) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol
PubChem CID10039429
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol
SMILESOc1ccc(CCC(O)CC/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-4,6-8,11-12,14-15,18,20-21H,5,9-10,13H2/b8-4+
InChIKeyPXPIJNMPDAFWSF-XBXARRHUSA-N
XLogP4.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol?
The IUPAC name of 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol (CID 10039429) is 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol.
What is the SMILES notation for 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol?
The canonical SMILES for 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol is Oc1ccc(CCC(O)CC/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol?
The InChIKey is PXPIJNMPDAFWSF-XBXARRHUSA-N. The full InChI is InChI=1S/C19H22O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-4,6-8,11-12,14-15,18,20-21H,5,9-10,13H2/b8-4+.
What are the key properties of 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol?
4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol has a molecular weight of 282.38 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-hydroxy-7-phenylhept-6-enyl]phenol is sourced from PubChem (CID 10039429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).