2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol

C20H22O2 — CID 169149697

IUPAC2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol
SMILESCCC1(C)C=Cc2c(O)cc(CCc3ccccc3)cc2O1
InChIInChI=1S/C20H22O2/c1-3-20(2)12-11-17-18(21)13-16(14-19(17)22-20)10-9-15-7-5-4-6-8-15/h4-8,11-14,21H,3,9-10H2,1-2H3
InChIKeyIZAQHSYPMAVFOJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.75
Rot. Bonds4

About 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol

2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol (PubChem CID 169149697) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol
PubChem CID169149697
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol
SMILESCCC1(C)C=Cc2c(O)cc(CCc3ccccc3)cc2O1
InChIInChI=1S/C20H22O2/c1-3-20(2)12-11-17-18(21)13-16(14-19(17)22-20)10-9-15-7-5-4-6-8-15/h4-8,11-14,21H,3,9-10H2,1-2H3
InChIKeyIZAQHSYPMAVFOJ-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol?
The IUPAC name of 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol (CID 169149697) is 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol.
What is the SMILES notation for 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol?
The canonical SMILES for 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol is CCC1(C)C=Cc2c(O)cc(CCc3ccccc3)cc2O1.
What is the InChIKey of 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol?
The InChIKey is IZAQHSYPMAVFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-20(2)12-11-17-18(21)13-16(14-19(17)22-20)10-9-15-7-5-4-6-8-15/h4-8,11-14,21H,3,9-10H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol?
2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol has a molecular weight of 294.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol is sourced from PubChem (CID 169149697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).