5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol

C16H16O3 — CID 107684857

IUPAC5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOc1ccc(COc2ccc3c(c2)CCC3O)cc1
InChIInChI=1S/C16H16O3/c17-13-4-1-11(2-5-13)10-19-14-6-7-15-12(9-14)3-8-16(15)18/h1-2,4-7,9,16-18H,3,8,10H2
InChIKeyNCQOTJGRALNQIM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.95
Rot. Bonds3

About 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol

5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684857) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107684857
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOc1ccc(COc2ccc3c(c2)CCC3O)cc1
InChIInChI=1S/C16H16O3/c17-13-4-1-11(2-5-13)10-19-14-6-7-15-12(9-14)3-8-16(15)18/h1-2,4-7,9,16-18H,3,8,10H2
InChIKeyNCQOTJGRALNQIM-UHFFFAOYSA-N
XLogP2.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 107684568
5-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684507
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684733
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684678
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684791
(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091307
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 107684857) is 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol is Oc1ccc(COc2ccc3c(c2)CCC3O)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is NCQOTJGRALNQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-13-4-1-11(2-5-13)10-19-14-6-7-15-12(9-14)3-8-16(15)18/h1-2,4-7,9,16-18H,3,8,10H2.
What are the key properties of 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 256.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).