4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol

C19H22O3 — CID 163186651

IUPAC4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol
SMILESC/C=C/c1ccc(OC)c([C@@](C)(O)Cc2ccc(O)cc2)c1
InChIInChI=1S/C19H22O3/c1-4-5-14-8-11-18(22-3)17(12-14)19(2,21)13-15-6-9-16(20)10-7-15/h4-12,20-21H,13H2,1-3H3/b5-4+/t19-/m0/s1
InChIKeyRCCRKZDDJFJRMS-PXPVJAHISA-N
MW298.38 g/mol
LogP3.88
Rot. Bonds5

About 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol

4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol (PubChem CID 163186651) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol
PubChem CID163186651
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol
SMILESC/C=C/c1ccc(OC)c([C@@](C)(O)Cc2ccc(O)cc2)c1
InChIInChI=1S/C19H22O3/c1-4-5-14-8-11-18(22-3)17(12-14)19(2,21)13-15-6-9-16(20)10-7-15/h4-12,20-21H,13H2,1-3H3/b5-4+/t19-/m0/s1
InChIKeyRCCRKZDDJFJRMS-PXPVJAHISA-N
XLogP3.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol?
The IUPAC name of 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol (CID 163186651) is 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol.
What is the SMILES notation for 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol?
The canonical SMILES for 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol is C/C=C/c1ccc(OC)c([C@@](C)(O)Cc2ccc(O)cc2)c1.
What is the InChIKey of 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol?
The InChIKey is RCCRKZDDJFJRMS-PXPVJAHISA-N. The full InChI is InChI=1S/C19H22O3/c1-4-5-14-8-11-18(22-3)17(12-14)19(2,21)13-15-6-9-16(20)10-7-15/h4-12,20-21H,13H2,1-3H3/b5-4+/t19-/m0/s1.
What are the key properties of 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol?
4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol has a molecular weight of 298.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-hydroxy-2-[2-methoxy-5-[(E)-prop-1-enyl]phenyl]propyl]phenol is sourced from PubChem (CID 163186651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).