4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol

C17H20O3 — CID 12962984

IUPAC4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
SMILESCC[C@H](c1ccc(O)cc1)[C@@H](CO)c1ccc(O)cc1
InChIInChI=1S/C17H20O3/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-20H,2,11H2,1H3/t16-,17+/m1/s1
InChIKeyZCSUXOKZFUTZDB-SJORKVTESA-N
MW272.34 g/mol
LogP3.37
Rot. Bonds5

About 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol

4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol (PubChem CID 12962984) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
PubChem CID12962984
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
SMILESCC[C@H](c1ccc(O)cc1)[C@@H](CO)c1ccc(O)cc1
InChIInChI=1S/C17H20O3/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-20H,2,11H2,1H3/t16-,17+/m1/s1
InChIKeyZCSUXOKZFUTZDB-SJORKVTESA-N
XLogP3.37
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
CID 12962939
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
4-(4-methyloctan-3-yl)phenol
CID 91753369
4-(3-methylheptan-4-yl)phenol
CID 123454111
CID 177385381
CID 177385381

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol?
The IUPAC name of 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol (CID 12962984) is 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol.
What is the SMILES notation for 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol?
The canonical SMILES for 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol is CC[C@H](c1ccc(O)cc1)[C@@H](CO)c1ccc(O)cc1.
What is the InChIKey of 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol?
The InChIKey is ZCSUXOKZFUTZDB-SJORKVTESA-N. The full InChI is InChI=1S/C17H20O3/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-20H,2,11H2,1H3/t16-,17+/m1/s1.
What are the key properties of 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol?
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol has a molecular weight of 272.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol is sourced from PubChem (CID 12962984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).