4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol

C18H20O2 — CID 163046353

IUPAC4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol
SMILESCC(=Cc1ccc(O)cc1)[C@@H](C)Cc1ccc(O)cc1
InChIInChI=1S/C18H20O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-11,14,19-20H,12H2,1-2H3/t14-/m0/s1
InChIKeyVNUHGFKQPBUSFI-AWEZNQCLSA-N
MW268.36 g/mol
LogP4.38
Rot. Bonds4

About 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol

4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol (PubChem CID 163046353) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol.

Molecular Properties

Compound Name4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol
PubChem CID163046353
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol
SMILESCC(=Cc1ccc(O)cc1)[C@@H](C)Cc1ccc(O)cc1
InChIInChI=1S/C18H20O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-11,14,19-20H,12H2,1-2H3/t14-/m0/s1
InChIKeyVNUHGFKQPBUSFI-AWEZNQCLSA-N
XLogP4.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol?
The IUPAC name of 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol (CID 163046353) is 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol.
What is the SMILES notation for 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol?
The canonical SMILES for 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol is CC(=Cc1ccc(O)cc1)[C@@H](C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol?
The InChIKey is VNUHGFKQPBUSFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-11,14,19-20H,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol?
4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-(4-hydroxyphenyl)-2,3-dimethylbut-3-enyl]phenol is sourced from PubChem (CID 163046353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).