2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol

C17H18O2 — CID 11514371

IUPAC2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol
SMILESC=C[C@@H](C)[C@](O)(c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H18O2/c1-3-13(2)17(19,14-9-5-4-6-10-14)15-11-7-8-12-16(15)18/h3-13,18-19H,1H2,2H3/t13-,17+/m1/s1
InChIKeyFWQISFGKEYKGAW-DYVFJYSZSA-N
MW254.33 g/mol
LogP3.45
Rot. Bonds4

About 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol

2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol (PubChem CID 11514371) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol.

Molecular Properties

Compound Name2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol
PubChem CID11514371
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol
SMILESC=C[C@@H](C)[C@](O)(c1ccccc1)c1ccccc1O
InChIInChI=1S/C17H18O2/c1-3-13(2)17(19,14-9-5-4-6-10-14)15-11-7-8-12-16(15)18/h3-13,18-19H,1H2,2H3/t13-,17+/m1/s1
InChIKeyFWQISFGKEYKGAW-DYVFJYSZSA-N
XLogP3.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
CID 14939211
2-hydroxy-3-methyl-2-phenylpent-4-enoic acid
CID 13026557
2-methylsulfanyl-1,1-diphenylbut-3-en-1-ol
CID 571021
2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
CID 101211105
2-(2-hydroxybut-3-en-2-yl)phenol
CID 13380598
2,4-dimethyl-3-phenylhex-5-en-3-amine
CID 10679669
(2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol
CID 14939216
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
(1S,2R)-3-methyl-1-(2-methylphenyl)-1-phenylbutane-1,2-diol
CID 131848491
1,1-diphenyl-2-phenylsulfanylbut-3-en-1-ol
CID 570020
1-(4-aminophenyl)-2-methyl-1-phenylpropan-1-ol
CID 22890028

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol?
The IUPAC name of 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol (CID 11514371) is 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol.
What is the SMILES notation for 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol?
The canonical SMILES for 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol is C=C[C@@H](C)[C@](O)(c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol?
The InChIKey is FWQISFGKEYKGAW-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-13(2)17(19,14-9-5-4-6-10-14)15-11-7-8-12-16(15)18/h3-13,18-19H,1H2,2H3/t13-,17+/m1/s1.
What are the key properties of 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol?
2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol has a molecular weight of 254.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol is sourced from PubChem (CID 11514371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).