4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

C20H22O4 — CID 162915335

IUPAC4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
SMILESCC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3C2)c1O
InChIInChI=1S/C20H22O4/c1-12(2)3-6-17-18(22)8-7-16(20(17)23)14-9-13-4-5-15(21)10-19(13)24-11-14/h3-5,7-8,10,14,21-23H,6,9,11H2,1-2H3/t14-/m0/s1
InChIKeyKLQQHVRUXGQDHL-AWEZNQCLSA-N
MW326.39 g/mol
LogP4.03
Rot. Bonds3

About 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol (PubChem CID 162915335) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
PubChem CID162915335
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
SMILESCC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3C2)c1O
InChIInChI=1S/C20H22O4/c1-12(2)3-6-17-18(22)8-7-16(20(17)23)14-9-13-4-5-15(21)10-19(13)24-11-14/h3-5,7-8,10,14,21-23H,6,9,11H2,1-2H3/t14-/m0/s1
InChIKeyKLQQHVRUXGQDHL-AWEZNQCLSA-N
XLogP4.03
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3S)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
CID 51136421
10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 5117820
4-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-(3-methylbut-2-enyl)benzene-1,2-diol
CID 142710940
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
(3R)-3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 163104518
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
CID 52941222
3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
CID 177248657
4-[(3R)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol
CID 154496901
8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
CID 162946117
4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
CID 139809687
8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
CID 56663805
2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 10291003

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The IUPAC name of 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol (CID 162915335) is 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol.
What is the SMILES notation for 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The canonical SMILES for 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol is CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3C2)c1O.
What is the InChIKey of 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The InChIKey is KLQQHVRUXGQDHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22O4/c1-12(2)3-6-17-18(22)8-7-16(20(17)23)14-9-13-4-5-15(21)10-19(13)24-11-14/h3-5,7-8,10,14,21-23H,6,9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol?
4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol has a molecular weight of 326.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol is sourced from PubChem (CID 162915335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).