2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol

C21H22O4 — CID 5319664

IUPAC2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol
SMILESCOc1ccc(C2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1
InChIInChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3
InChIKeyZZAIPFIGEGQNHP-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.30
Rot. Bonds2

About 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol

2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol (PubChem CID 5319664) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol
PubChem CID5319664
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol
SMILESCOc1ccc(C2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1
InChIInChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3
InChIKeyZZAIPFIGEGQNHP-UHFFFAOYSA-N
XLogP4.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol?
The IUPAC name of 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol (CID 5319664) is 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol.
What is the SMILES notation for 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol?
The canonical SMILES for 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol is COc1ccc(C2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1.
What is the InChIKey of 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol?
The InChIKey is ZZAIPFIGEGQNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3.
What are the key properties of 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol?
2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol has a molecular weight of 338.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol is sourced from PubChem (CID 5319664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).