6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol

C23H28O4 — CID 123789280

IUPAC6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol
SMILESCc1cccc(Cc2cc(C3OC(CO)CC(O)C3O)cc3c2CCC3)c1
InChIInChI=1S/C23H28O4/c1-14-4-2-5-15(8-14)9-17-11-18(10-16-6-3-7-20(16)17)23-22(26)21(25)12-19(13-24)27-23/h2,4-5,8,10-11,19,21-26H,3,6-7,9,12-13H2,1H3
InChIKeyLMNLPIMBNBWKRB-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.62
Rot. Bonds4

About 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol

6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol (PubChem CID 123789280) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol
PubChem CID123789280
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol
SMILESCc1cccc(Cc2cc(C3OC(CO)CC(O)C3O)cc3c2CCC3)c1
InChIInChI=1S/C23H28O4/c1-14-4-2-5-15(8-14)9-17-11-18(10-16-6-3-7-20(16)17)23-22(26)21(25)12-19(13-24)27-23/h2,4-5,8,10-11,19,21-26H,3,6-7,9,12-13H2,1H3
InChIKeyLMNLPIMBNBWKRB-UHFFFAOYSA-N
XLogP2.62
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol with MolForge

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Related Compounds

(2S,3R,4R,5S,6R)-2-(7-benzyl-2,3-dihydro-1H-inden-5-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 126647134
6-(hydroxymethyl)-2-[4-methoxy-3-[(4-methylphenyl)methyl]phenyl]oxane-3,4-diol
CID 163887720
2-[7-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-6-(hydroxymethyl)oxan-4-ol
CID 123945451
2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
CID 123741782
2-(hydroxymethyl)-6-[7-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]oxan-4-ol
CID 144960262
2-[4-chloro-3-[(1-methylindol-5-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 123369809
(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde
CID 144864989
5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 23341007
(2S,3R,4R,5S,6R)-2-[3-[(8,8-dideuterio-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 153285745
2-[4-ethyl-7-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-6-(hydroxymethyl)oxan-4-ol
CID 155031705
(2S,3R,4R,5S,6R)-2-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl)-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;carbonyl difluoride
CID 157414922
(2R,3S,4R,5S,6R)-2-[3-[4-[3-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90251075

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol?
The IUPAC name of 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol (CID 123789280) is 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol is Cc1cccc(Cc2cc(C3OC(CO)CC(O)C3O)cc3c2CCC3)c1.
What is the InChIKey of 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol?
The InChIKey is LMNLPIMBNBWKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-14-4-2-5-15(8-14)9-17-11-18(10-16-6-3-7-20(16)17)23-22(26)21(25)12-19(13-24)27-23/h2,4-5,8,10-11,19,21-26H,3,6-7,9,12-13H2,1H3.
What are the key properties of 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol?
6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol has a molecular weight of 368.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-[7-[(3-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]oxane-3,4-diol is sourced from PubChem (CID 123789280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).