(3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol

C19H20O3 — CID 163193809

IUPAC(3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol
SMILESCC1(C)Oc2cc(/C=C/c3ccccc3)cc(O)c2C[C@H]1O
InChIInChI=1S/C19H20O3/c1-19(2)18(21)12-15-16(20)10-14(11-17(15)22-19)9-8-13-6-4-3-5-7-13/h3-11,18,20-21H,12H2,1-2H3/b9-8+/t18-/m1/s1
InChIKeyHSGNBZVGNHDAMS-GFOMBABLSA-N
MW296.37 g/mol
LogP3.64
Rot. Bonds2

About (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol

(3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol (PubChem CID 163193809) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol
PubChem CID163193809
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol
SMILESCC1(C)Oc2cc(/C=C/c3ccccc3)cc(O)c2C[C@H]1O
InChIInChI=1S/C19H20O3/c1-19(2)18(21)12-15-16(20)10-14(11-17(15)22-19)9-8-13-6-4-3-5-7-13/h3-11,18,20-21H,12H2,1-2H3/b9-8+/t18-/m1/s1
InChIKeyHSGNBZVGNHDAMS-GFOMBABLSA-N
XLogP3.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-8-(3-methylbut-2-enyl)-5-(2-phenylethenyl)-3,4-dihydrochromene-3,7-diol
CID 162928511
(E)-1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-phenylprop-2-en-1-one
CID 42607597
(E)-1-[(3S)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-3-phenylprop-2-en-1-one
CID 163081269
1-[(3S)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-3-phenylprop-2-en-1-one
CID 163081268
(6aS,9S,10aS)-6,6,9-trimethyl-3-[(E)-2-phenylethenyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
CID 10089121
(3S)-2,2-dimethyl-5-(2-phenylethyl)-3,4-dihydrochromene-3,7-diol
CID 163030346
3-[(E)-2-phenylethenyl]-6-prop-1-en-2-yl-9H-xanthen-1-ol
CID 53373394
2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
CID 68629496
(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol
CID 46919084
2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol
CID 101193353
2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,6-diol
CID 11964203
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol?
The IUPAC name of (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol (CID 163193809) is (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol.
What is the SMILES notation for (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol?
The canonical SMILES for (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol is CC1(C)Oc2cc(/C=C/c3ccccc3)cc(O)c2C[C@H]1O.
What is the InChIKey of (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol?
The InChIKey is HSGNBZVGNHDAMS-GFOMBABLSA-N. The full InChI is InChI=1S/C19H20O3/c1-19(2)18(21)12-15-16(20)10-14(11-17(15)22-19)9-8-13-6-4-3-5-7-13/h3-11,18,20-21H,12H2,1-2H3/b9-8+/t18-/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol?
(3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol has a molecular weight of 296.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol is sourced from PubChem (CID 163193809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).