2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol

C19H22O3 — CID 163016308

IUPAC2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol
SMILESC=C(C)[C@H](O)Cc1c(O)cc(CCc2ccccc2)cc1O
InChIInChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3/t17-/m1/s1
InChIKeyNOPHUFYTJFIALJ-QGZVFWFLSA-N
MW298.38 g/mol
LogP3.36
Rot. Bonds6

About 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol

2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol (PubChem CID 163016308) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol
PubChem CID163016308
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol
SMILESC=C(C)[C@H](O)Cc1c(O)cc(CCc2ccccc2)cc1O
InChIInChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3/t17-/m1/s1
InChIKeyNOPHUFYTJFIALJ-QGZVFWFLSA-N
XLogP3.36
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
2-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5-(2-phenylethyl)benzene-1,3-diol
CID 163031437
2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
CID 105110468
(4S)-4-hydroxy-3-methylidene-6-phenylhexan-2-one
CID 100977771
4-(4-phenylbutyl)benzene-1,2-diol
CID 15135539
ethane;N-[[3-(2-phenylethyl)phenyl]methyl]prop-1-en-2-amine
CID 143602189
benzene;2-phenylethylbenzene
CID 18982764
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776
2-methyl-5-pyridin-3-ylpent-1-en-3-ol
CID 105110580
4-(10-phenyldecyl)benzene-1,2-diol
CID 14057488
2-benzyl-3-methylbut-3-enoic acid
CID 57064643
ethane;methane;2-phenylethylbenzene
CID 158652330

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol?
The IUPAC name of 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol (CID 163016308) is 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol.
What is the SMILES notation for 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol?
The canonical SMILES for 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol is C=C(C)[C@H](O)Cc1c(O)cc(CCc2ccccc2)cc1O.
What is the InChIKey of 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol?
The InChIKey is NOPHUFYTJFIALJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol?
2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol has a molecular weight of 298.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(2-phenylethyl)benzene-1,3-diol is sourced from PubChem (CID 163016308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).