4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol

C16H16O4 — CID 10683586

IUPAC4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
SMILESCC1(c2ccc(O)cc2O)CCc2ccc(O)cc2O1
InChIInChI=1S/C16H16O4/c1-16(13-5-4-11(17)8-14(13)19)7-6-10-2-3-12(18)9-15(10)20-16/h2-5,8-9,17-19H,6-7H2,1H3
InChIKeyGSMLATNJVCFRCT-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.04
Rot. Bonds1

About 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol

4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol (PubChem CID 10683586) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
PubChem CID10683586
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol
SMILESCC1(c2ccc(O)cc2O)CCc2ccc(O)cc2O1
InChIInChI=1S/C16H16O4/c1-16(13-5-4-11(17)8-14(13)19)7-6-10-2-3-12(18)9-15(10)20-16/h2-5,8-9,17-19H,6-7H2,1H3
InChIKeyGSMLATNJVCFRCT-UHFFFAOYSA-N
XLogP3.04
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-hydroxy-2,4,4-trimethyl-3H-chromen-2-yl)benzene-1,3-diol
CID 162010802
2-(2-methyl-3,4-dihydrochromen-2-yl)phenol
CID 134834710
5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
CID 163063625
4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
CID 123357468
3-hydroxy-4-[(2S)-2-methyl-5-oxooxolan-2-yl]benzoic acid
CID 146684273
7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
CID 12702349
4-(2,4-diethyl-7-hydroxy-4-methyl-3H-chromen-2-yl)benzene-1,3-diol
CID 21466615
6-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethyl-3,4-dihydrochromen-7-ol
CID 131879123
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
(1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol
CID 11148193
1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
CID 105438625
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
CID 159253839

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol (CID 10683586) is 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol is CC1(c2ccc(O)cc2O)CCc2ccc(O)cc2O1.
What is the InChIKey of 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol?
The InChIKey is GSMLATNJVCFRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-16(13-5-4-11(17)8-14(13)19)7-6-10-2-3-12(18)9-15(10)20-16/h2-5,8-9,17-19H,6-7H2,1H3.
What are the key properties of 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol?
4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol has a molecular weight of 272.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxy-2-methyl-3,4-dihydrochromen-2-yl)benzene-1,3-diol is sourced from PubChem (CID 10683586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).