1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol

C14H18O2S2 — CID 14843789

IUPAC1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(C1SCCCS1)CC2
InChIInChI=1S/C14H18O2S2/c1-16-11-4-3-10-5-6-14(15,12(10)9-11)13-17-7-2-8-18-13/h3-4,9,13,15H,2,5-8H2,1H3
InChIKeyHRCYHORYXGKISI-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.03
Rot. Bonds2

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

1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 14843789) has the molecular formula C14H18O2S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID14843789
Molecular FormulaC14H18O2S2
Molecular Weight282.43 g/mol
Exact Mass282.07
IUPAC Name1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(C1SCCCS1)CC2
InChIInChI=1S/C14H18O2S2/c1-16-11-4-3-10-5-6-14(15,12(10)9-11)13-17-7-2-8-18-13/h3-4,9,13,15H,2,5-8H2,1H3
InChIKeyHRCYHORYXGKISI-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
6-methoxy-1-pyrrolidin-2-yl-2,3-dihydroinden-1-ol
CID 79375065
1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374140
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 79374000
1-ethynyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374777
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-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol (CID 14843789) is 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(C1SCCCS1)CC2.
What is the InChIKey of 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is HRCYHORYXGKISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2S2/c1-16-11-4-3-10-5-6-14(15,12(10)9-11)13-17-7-2-8-18-13/h3-4,9,13,15H,2,5-8H2,1H3.
What are the key properties of 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol?
1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 282.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithian-2-yl)-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 14843789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).