4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol

C20H22O3 — CID 163026721

IUPAC4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol
SMILESCC1(C)CCc2c(ccc3c2OC(c2ccc(O)cc2)CC3)O1
InChIInChI=1S/C20H22O3/c1-20(2)12-11-16-18(23-20)10-6-14-5-9-17(22-19(14)16)13-3-7-15(21)8-4-13/h3-4,6-8,10,17,21H,5,9,11-12H2,1-2H3
InChIKeyACLDYNNXBJRZDR-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.56
Rot. Bonds1

About 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol

4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol (PubChem CID 163026721) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol.

Molecular Properties

Compound Name4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol
PubChem CID163026721
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol
SMILESCC1(C)CCc2c(ccc3c2OC(c2ccc(O)cc2)CC3)O1
InChIInChI=1S/C20H22O3/c1-20(2)12-11-16-18(23-20)10-6-14-5-9-17(22-19(14)16)13-3-7-15(21)8-4-13/h3-4,6-8,10,17,21H,5,9,11-12H2,1-2H3
InChIKeyACLDYNNXBJRZDR-UHFFFAOYSA-N
XLogP4.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 71601900
4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
CID 162890441
4-[8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
CID 102369763
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
4-(3,4-dihydro-2H-furo[2,3-h]chromen-2-yl)phenol
CID 86091023
(2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 42608049
(2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
CID 25186922
1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol
CID 10947920
5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 101113077
4-[7-methoxy-8-(3-methylbuta-1,3-dienyl)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 141105077
(2S)-2-(4-hydroxyphenyl)-8-methyl-8-[(2E)-4-methylpenta-2,4-dienyl]-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 155523923
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 11616795

Frequently Asked Questions

What is the IUPAC name of 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol?
The IUPAC name of 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol (CID 163026721) is 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol.
What is the SMILES notation for 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol?
The canonical SMILES for 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol is CC1(C)CCc2c(ccc3c2OC(c2ccc(O)cc2)CC3)O1.
What is the InChIKey of 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol?
The InChIKey is ACLDYNNXBJRZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-20(2)12-11-16-18(23-20)10-6-14-5-9-17(22-19(14)16)13-3-7-15(21)8-4-13/h3-4,6-8,10,17,21H,5,9,11-12H2,1-2H3.
What are the key properties of 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol?
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol has a molecular weight of 310.39 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol is sourced from PubChem (CID 163026721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).