5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol

C48H48O9 — CID 157332438

IUPAC5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESOCc1cc(-c2ccc3c(c2)CCC3O)cc(CO)c1O.OCc1cc(-c2ccc3c(c2)CCC3O)ccc1O.Oc1ccc(-c2ccc3c(c2)CCC3O)cc1
InChIInChI=1S/C17H18O4.C16H16O3.C15H14O2/c18-8-13-6-12(7-14(9-19)17(13)21)10-1-3-15-11(5-10)2-4-16(15)20;17-9-13-8-11(2-5-15(13)18)10-1-4-14-12(7-10)3-6-16(14)19;16-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(14)17/h1,3,5-7,16,18-21H,2,4,8-9H2;1-2,4-5,7-8,16-19H,3,6,9H2;1-3,5-7,9,15-17H,4,8H2
InChIKeyBFLFPAUUCSMSIJ-UHFFFAOYSA-N
MW768.90 g/mol
LogP7.59
Rot. Bonds6

About 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol

5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 157332438) has the molecular formula C48H48O9 and a molecular weight of 768.90 g/mol. Its IUPAC name is 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID157332438
Molecular FormulaC48H48O9
Molecular Weight768.90 g/mol
Exact Mass768.33
IUPAC Name5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESOCc1cc(-c2ccc3c(c2)CCC3O)cc(CO)c1O.OCc1cc(-c2ccc3c(c2)CCC3O)ccc1O.Oc1ccc(-c2ccc3c(c2)CCC3O)cc1
InChIInChI=1S/C17H18O4.C16H16O3.C15H14O2/c18-8-13-6-12(7-14(9-19)17(13)21)10-1-3-15-11(5-10)2-4-16(15)20;17-9-13-8-11(2-5-15(13)18)10-1-4-14-12(7-10)3-6-16(14)19;16-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(14)17/h1,3,5-7,16,18-21H,2,4,8-9H2;1-2,4-5,7-8,16-19H,3,6,9H2;1-3,5-7,9,15-17H,4,8H2
InChIKeyBFLFPAUUCSMSIJ-UHFFFAOYSA-N
XLogP7.59
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.90
LogP ≤ 57.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

5-phenyl-2,3-dihydro-1H-inden-1-ol
CID 23082740
4-(1-chloro-2,3-dihydro-1H-inden-5-yl)-2,6-dimethylphenol;5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol
CID 157184583
6-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 126542656
6-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410358
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
4-[3,5-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]phenyl]-2,6-bis(hydroxymethyl)phenol
CID 22095439
5-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 53439054
6-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410362
7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
CID 15329434
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684733
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664

Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol (CID 157332438) is 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol is OCc1cc(-c2ccc3c(c2)CCC3O)cc(CO)c1O.OCc1cc(-c2ccc3c(c2)CCC3O)ccc1O.Oc1ccc(-c2ccc3c(c2)CCC3O)cc1.
What is the InChIKey of 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is BFLFPAUUCSMSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4.C16H16O3.C15H14O2/c18-8-13-6-12(7-14(9-19)17(13)21)10-1-3-15-11(5-10)2-4-16(15)20;17-9-13-8-11(2-5-15(13)18)10-1-4-14-12(7-10)3-6-16(14)19;16-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(14)17/h1,3,5-7,16,18-21H,2,4,8-9H2;1-2,4-5,7-8,16-19H,3,6,9H2;1-3,5-7,9,15-17H,4,8H2.
What are the key properties of 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol?
5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 768.90 g/mol, XLogP of 7.59, 6 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-[4-hydroxy-3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-inden-1-ol;5-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 157332438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).