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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Related Compounds

4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol
CID 132603682
(3R)-2,2-dimethyl-7-[(E)-2-phenylethenyl]-3,4-dihydrochromene-3,5-diol
CID 163193809
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide
CID 139221686
2,2-dimethyl-8-(3-methylbut-2-enyl)-5-(2-phenylethenyl)-3,4-dihydrochromene-3,7-diol
CID 162928511
5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 101113077
6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
CID 20818420
2,2,5,6,7-pentamethyl-3,4-dihydrochromene
CID 58669353
(1S,9S,12R,14S)-3-hydroxy-9,13,13-trimethyl-5-[(E)-2-phenylethenyl]-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2(7),3,5-triene-4-carboxylic acid
CID 75593460
2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol
CID 11645227
3-[5-hydroxy-2-(2-phenylethenyl)phenyl]-4-(2-phenylethenyl)phenol
CID 68866256
5-[(2R,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dimethyl-1-benzofuran-3-yl]benzene-1,3-diol
CID 162929295

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).