1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde

C10H10O3 — CID 105437335

IUPAC1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde
SMILESO=CC1(O)CCc2cc(O)ccc21
InChIInChI=1S/C10H10O3/c11-6-10(13)4-3-7-5-8(12)1-2-9(7)10/h1-2,5-6,12-13H,3-4H2
InChIKeyMAUPQIKMLAGMLR-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.72
Rot. Bonds1

About 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde

1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde (PubChem CID 105437335) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde.

Molecular Properties

Compound Name1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde
PubChem CID105437335
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde
SMILESO=CC1(O)CCc2cc(O)ccc21
InChIInChI=1S/C10H10O3/c11-6-10(13)4-3-7-5-8(12)1-2-9(7)10/h1-2,5-6,12-13H,3-4H2
InChIKeyMAUPQIKMLAGMLR-UHFFFAOYSA-N
XLogP0.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-ethenyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 162911298
2,6-dihydroxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
CID 105445825
6-fluoro-1-hydroxy-2,3-dihydroindene-1-carbaldehyde
CID 105438538
7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
CID 12702349
1-(hydroxymethyl)-2,3-dihydroindene-1,5-diol
CID 105438625
1-prop-2-enyl-3,4-dihydro-2H-naphthalene-1,6-diol
CID 130032329
1-isocyanato-1-methyl-2,3-dihydroinden-5-ol
CID 115017736
2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 14598198
3,3-diamino-1,2-dihydroinden-5-ol
CID 66833532
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 105461504
1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
CID 162670528

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde?
The IUPAC name of 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde (CID 105437335) is 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde.
What is the SMILES notation for 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde?
The canonical SMILES for 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde is O=CC1(O)CCc2cc(O)ccc21.
What is the InChIKey of 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde?
The InChIKey is MAUPQIKMLAGMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-6-10(13)4-3-7-5-8(12)1-2-9(7)10/h1-2,5-6,12-13H,3-4H2.
What are the key properties of 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde?
1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde has a molecular weight of 178.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-2,3-dihydroindene-1-carbaldehyde is sourced from PubChem (CID 105437335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).