4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol

C19H22O3 — CID 38362130

IUPAC4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol
SMILESOc1ccc(/C=C/CC[C@@H](O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,17,20-22H,2,4,7,10H2/b3-1+/t17-/m1/s1
InChIKeyHLWUXTFOZZSNLD-XKKXFUJGSA-N
MW298.38 g/mol
LogP3.88
Rot. Bonds7

About 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol

4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol (PubChem CID 38362130) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol.

Molecular Properties

Compound Name4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol
PubChem CID38362130
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol
SMILESOc1ccc(/C=C/CC[C@@H](O)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,17,20-22H,2,4,7,10H2/b3-1+/t17-/m1/s1
InChIKeyHLWUXTFOZZSNLD-XKKXFUJGSA-N
XLogP3.88
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
Tyrosol
CID 10393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814
Bisphenol B
CID 66166
Bis(4-hydroxyphenyl)methane
CID 12111

Frequently Asked Questions

What is the IUPAC name of 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol?
The IUPAC name of 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol (CID 38362130) is 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol.
What is the SMILES notation for 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol?
The canonical SMILES for 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol is Oc1ccc(/C=C/CC[C@@H](O)CCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol?
The InChIKey is HLWUXTFOZZSNLD-XKKXFUJGSA-N. The full InChI is InChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,17,20-22H,2,4,7,10H2/b3-1+/t17-/m1/s1.
What are the key properties of 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol?
4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol has a molecular weight of 298.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,3R)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-enyl]phenol is sourced from PubChem (CID 38362130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).