6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol

C16H21N3O2 — CID 79371787

IUPAC6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(Cc1ncnn1C(C)C)CC2
InChIInChI=1S/C16H21N3O2/c1-11(2)19-15(17-10-18-19)9-16(20)7-6-12-4-5-13(21-3)8-14(12)16/h4-5,8,10-11,20H,6-7,9H2,1-3H3
InChIKeyMPBOHORVCBHGPT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.24
Rot. Bonds4

About 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol

6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 79371787) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol
PubChem CID79371787
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(Cc1ncnn1C(C)C)CC2
InChIInChI=1S/C16H21N3O2/c1-11(2)19-15(17-10-18-19)9-16(20)7-6-12-4-5-13(21-3)8-14(12)16/h4-5,8,10-11,20H,6-7,9H2,1-3H3
InChIKeyMPBOHORVCBHGPT-UHFFFAOYSA-N
XLogP2.24
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol with MolForge

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Related Compounds

6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol
CID 112642015
6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 79374000
1-[(4-bromo-2-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371802
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 82003529
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol
CID 103006424
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanone
CID 82003496
5-[[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66033861
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol (CID 79371787) is 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(Cc1ncnn1C(C)C)CC2.
What is the InChIKey of 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is MPBOHORVCBHGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)19-15(17-10-18-19)9-16(20)7-6-12-4-5-13(21-3)8-14(12)16/h4-5,8,10-11,20H,6-7,9H2,1-3H3.
What are the key properties of 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol?
6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79371787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).