1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol

C10H12O3 — CID 105438625

IUPAC1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
SMILESOCC1(O)CCc2cc(O)ccc21
InChIInChI=1S/C10H12O3/c11-6-10(13)4-3-7-5-8(12)1-2-9(7)10/h1-2,5,11-13H,3-4,6H2
InChIKeyCYXJDAAPCKIFGL-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.52
Rot. Bonds1

About 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol

1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol (PubChem CID 105438625) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol.

Molecular Properties

Compound Name1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
PubChem CID105438625
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
SMILESOCC1(O)CCc2cc(O)ccc21
InChIInChI=1S/C10H12O3/c11-6-10(13)4-3-7-5-8(12)1-2-9(7)10/h1-2,5,11-13H,3-4,6H2
InChIKeyCYXJDAAPCKIFGL-UHFFFAOYSA-N
XLogP0.52
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 130032329
1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde
CID 105437335
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol
CID 13177868
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 162911298
1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
CID 162670528
1-(2-hydroxy-2-methylpropyl)-1-methyl-2,3-dihydroinden-5-ol
CID 66557208
7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
CID 12702349
2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol
CID 105447110
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 105461504

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol?
The IUPAC name of 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol (CID 105438625) is 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol.
What is the SMILES notation for 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol?
The canonical SMILES for 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol is OCC1(O)CCc2cc(O)ccc21.
What is the InChIKey of 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol?
The InChIKey is CYXJDAAPCKIFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-6-10(13)4-3-7-5-8(12)1-2-9(7)10/h1-2,5,11-13H,3-4,6H2.
What are the key properties of 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol?
1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol has a molecular weight of 180.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol is sourced from PubChem (CID 105438625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).