6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol

C12H16O3 — CID 79568236

IUPAC6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
SMILESCOCC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C12H16O3/c1-14-8-12(13)6-5-9-3-4-10(15-2)7-11(9)12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyHOYAWEMGHMSKCH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.48
Rot. Bonds3

About 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol

6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol (PubChem CID 79568236) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
PubChem CID79568236
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
SMILESCOCC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C12H16O3/c1-14-8-12(13)6-5-9-3-4-10(15-2)7-11(9)12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyHOYAWEMGHMSKCH-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 79374000
6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol
CID 112642015
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374993

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol (CID 79568236) is 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol is COCC1(O)CCc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol?
The InChIKey is HOYAWEMGHMSKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-8-12(13)6-5-9-3-4-10(15-2)7-11(9)12/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol?
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79568236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).