(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol

C12H16O3 — CID 84676076

IUPAC(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
SMILESCOc1cc(CO)c(OC)c2c1CCC2
InChIInChI=1S/C12H16O3/c1-14-11-6-8(7-13)12(15-2)10-5-3-4-9(10)11/h6,13H,3-5,7H2,1-2H3
InChIKeyVYJYDIRMDQWULN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.68
Rot. Bonds3

About (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol

(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 84676076) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID84676076
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
SMILESCOc1cc(CO)c(OC)c2c1CCC2
InChIInChI=1S/C12H16O3/c1-14-11-6-8(7-13)12(15-2)10-5-3-4-9(10)11/h6,13H,3-5,7H2,1-2H3
InChIKeyVYJYDIRMDQWULN-UHFFFAOYSA-N
XLogP1.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanal
CID 117374005
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-dimethylpropanoic acid
CID 117472164
2-amino-3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117447869
2-(6,7-dimethoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54401717
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 15354623
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
CID 117381815
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117379543
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 117348841
1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
CID 117340711
(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739

Frequently Asked Questions

What is the IUPAC name of (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol (CID 84676076) is (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol is COc1cc(CO)c(OC)c2c1CCC2.
What is the InChIKey of (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is VYJYDIRMDQWULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-11-6-8(7-13)12(15-2)10-5-3-4-9(10)11/h6,13H,3-5,7H2,1-2H3.
What are the key properties of (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol?
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol has a molecular weight of 208.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 84676076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).