[4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol

C16H17NO3 — CID 21221214

IUPAC[4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol
SMILESCOc1cnc(CO)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C16H17NO3/c1-19-16-9-17-13(10-18)8-15(16)20-14-6-11-4-2-3-5-12(11)7-14/h2-5,8-9,14,18H,6-7,10H2,1H3
InChIKeyBWKVTXSRUFUIJM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.13
Rot. Bonds4

About [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol

[4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol (PubChem CID 21221214) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol
PubChem CID21221214
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol
SMILESCOc1cnc(CO)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C16H17NO3/c1-19-16-9-17-13(10-18)8-15(16)20-14-6-11-4-2-3-5-12(11)7-14/h2-5,8-9,14,18H,6-7,10H2,1H3
InChIKeyBWKVTXSRUFUIJM-UHFFFAOYSA-N
XLogP2.13
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol?
The IUPAC name of [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol (CID 21221214) is [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol is COc1cnc(CO)cc1OC1Cc2ccccc2C1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol?
The InChIKey is BWKVTXSRUFUIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-16-9-17-13(10-18)8-15(16)20-14-6-11-4-2-3-5-12(11)7-14/h2-5,8-9,14,18H,6-7,10H2,1H3.
What are the key properties of [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol?
[4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol has a molecular weight of 271.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-2-yloxy)-5-methoxy-2-pyridinyl]methanol is sourced from PubChem (CID 21221214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).