4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol

C20H24O4 — CID 162862536

IUPAC4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol
SMILESCO[C@@H](C=Cc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1
InChIInChI=1S/C20H24O4/c1-24-20(13-7-16-4-10-18(22)11-5-16)14-19(23)12-6-15-2-8-17(21)9-3-15/h2-5,7-11,13,19-23H,6,12,14H2,1H3/t19-,20-/m0/s1
InChIKeyZZFXUFPDEDISBX-PMACEKPBSA-N
MW328.41 g/mol
LogP3.51
Rot. Bonds8

About 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol

4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol (PubChem CID 162862536) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol.

Molecular Properties

Compound Name4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol
PubChem CID162862536
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol
SMILESCO[C@@H](C=Cc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1
InChIInChI=1S/C20H24O4/c1-24-20(13-7-16-4-10-18(22)11-5-16)14-19(23)12-6-15-2-8-17(21)9-3-15/h2-5,7-11,13,19-23H,6,12,14H2,1H3/t19-,20-/m0/s1
InChIKeyZZFXUFPDEDISBX-PMACEKPBSA-N
XLogP3.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
(E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
CID 102176225
(5S)-1,7-bis(4-hydroxyphenyl)-5-methoxyhept-1-en-3-one
CID 90736594
4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
CID 66690172
(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol
CID 71094748
4-(3-methylbut-1-enyl)phenol
CID 57250794
7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol
CID 165355377
4-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enyl]-5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol;4-[1-hydroxy-3-(4-hydroxyphenyl)propyl]-5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 159864814
4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
4-(3,5-dimethyloctyl)phenol
CID 174906830
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol?
The IUPAC name of 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol (CID 162862536) is 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol.
What is the SMILES notation for 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol?
The canonical SMILES for 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol is CO[C@@H](C=Cc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1.
What is the InChIKey of 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol?
The InChIKey is ZZFXUFPDEDISBX-PMACEKPBSA-N. The full InChI is InChI=1S/C20H24O4/c1-24-20(13-7-16-4-10-18(22)11-5-16)14-19(23)12-6-15-2-8-17(21)9-3-15/h2-5,7-11,13,19-23H,6,12,14H2,1H3/t19-,20-/m0/s1.
What are the key properties of 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol?
4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol has a molecular weight of 328.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol is sourced from PubChem (CID 162862536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).