2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol

C19H20O2 — CID 101193353

IUPAC2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol
SMILESCC1(C)CCc2c(/C=C/c3ccccc3)cc(O)cc2O1
InChIInChI=1S/C19H20O2/c1-19(2)11-10-17-15(12-16(20)13-18(17)21-19)9-8-14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3/b9-8+
InChIKeyYUTDNNDOFVJHRL-CMDGGOBGSA-N
MW280.37 g/mol
LogP4.67
Rot. Bonds2

About 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol

2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol (PubChem CID 101193353) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol
PubChem CID101193353
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol
SMILESCC1(C)CCc2c(/C=C/c3ccccc3)cc(O)cc2O1
InChIInChI=1S/C19H20O2/c1-19(2)11-10-17-15(12-16(20)13-18(17)21-19)9-8-14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3/b9-8+
InChIKeyYUTDNNDOFVJHRL-CMDGGOBGSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol?
The IUPAC name of 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol (CID 101193353) is 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol.
What is the SMILES notation for 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol?
The canonical SMILES for 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol is CC1(C)CCc2c(/C=C/c3ccccc3)cc(O)cc2O1.
What is the InChIKey of 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol?
The InChIKey is YUTDNNDOFVJHRL-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20O2/c1-19(2)11-10-17-15(12-16(20)13-18(17)21-19)9-8-14-6-4-3-5-7-14/h3-9,12-13,20H,10-11H2,1-2H3/b9-8+.
What are the key properties of 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol?
2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol has a molecular weight of 280.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(E)-2-phenylethenyl]-3,4-dihydrochromen-7-ol is sourced from PubChem (CID 101193353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).