2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol

C21H24O2 — CID 11645227

IUPAC2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(/C=C/c1ccccc1)O2
InChIInChI=1S/C21H24O2/c1-14-15(2)20-18(16(3)19(14)22)11-13-21(4,23-20)12-10-17-8-6-5-7-9-17/h5-10,12,22H,11,13H2,1-4H3/b12-10+
InChIKeyDAQBCBXAZYQRLV-ZRDIBKRKSA-N
MW308.42 g/mol
LogP5.11
Rot. Bonds2

About 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol (PubChem CID 11645227) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol
PubChem CID11645227
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(/C=C/c1ccccc1)O2
InChIInChI=1S/C21H24O2/c1-14-15(2)20-18(16(3)19(14)22)11-13-21(4,23-20)12-10-17-8-6-5-7-9-17/h5-10,12,22H,11,13H2,1-4H3/b12-10+
InChIKeyDAQBCBXAZYQRLV-ZRDIBKRKSA-N
XLogP5.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol (CID 11645227) is 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(/C=C/c1ccccc1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol?
The InChIKey is DAQBCBXAZYQRLV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H24O2/c1-14-15(2)20-18(16(3)19(14)22)11-13-21(4,23-20)12-10-17-8-6-5-7-9-17/h5-10,12,22H,11,13H2,1-4H3/b12-10+.
What are the key properties of 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol has a molecular weight of 308.42 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[(E)-2-phenylethenyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 11645227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).