4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol

C20H22O4 — CID 162890441

IUPAC4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
SMILESCC(C)(O)[C@@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3)O1
InChIInChI=1S/C20H22O4/c1-20(2,22)18-11-15-17(23-18)10-6-13-5-9-16(24-19(13)15)12-3-7-14(21)8-4-12/h3-4,6-8,10,16,18,21-22H,5,9,11H2,1-2H3/t16-,18-/m0/s1
InChIKeyRXOBZEGNJOADLO-WMZOPIPTSA-N
MW326.39 g/mol
LogP3.53
Rot. Bonds2

About 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol

4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol (PubChem CID 162890441) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol.

Molecular Properties

Compound Name4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
PubChem CID162890441
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
SMILESCC(C)(O)[C@@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3)O1
InChIInChI=1S/C20H22O4/c1-20(2,22)18-11-15-17(23-18)10-6-13-5-9-16(24-19(13)15)12-3-7-14(21)8-4-12/h3-4,6-8,10,16,18,21-22H,5,9,11H2,1-2H3/t16-,18-/m0/s1
InChIKeyRXOBZEGNJOADLO-WMZOPIPTSA-N
XLogP3.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol
CID 102369763
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-2-yl)phenol
CID 163026721
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
CID 5316782
1-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol
CID 10947920
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-(4-hydroxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
CID 25186922
7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol
CID 162954457
4-[7-methoxy-8-(3-methylbuta-1,3-dienyl)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 141105077
(2S,8S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
CID 162998660
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol
CID 129388939

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol?
The IUPAC name of 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol (CID 162890441) is 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol.
What is the SMILES notation for 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol?
The canonical SMILES for 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol is CC(C)(O)[C@@H]1Cc2c(ccc3c2O[C@H](c2ccc(O)cc2)CC3)O1.
What is the InChIKey of 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol?
The InChIKey is RXOBZEGNJOADLO-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H22O4/c1-20(2,22)18-11-15-17(23-18)10-6-13-5-9-16(24-19(13)15)12-3-7-14(21)8-4-12/h3-4,6-8,10,16,18,21-22H,5,9,11H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol?
4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol has a molecular weight of 326.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,8S)-8-(2-hydroxypropan-2-yl)-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-2-yl]phenol is sourced from PubChem (CID 162890441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).