(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol

C16H17NO3 — CID 104951048

IUPAC(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(c1ccc(C)nc1)O2
InChIInChI=1S/C16H17NO3/c1-10-3-4-11(9-17-10)16-8-14(18)13-7-12(19-2)5-6-15(13)20-16/h3-7,9,14,16,18H,8H2,1-2H3/t14-,16?/m1/s1
InChIKeyRBKXICSUWUTYFA-IURRXHLWSA-N
MW271.32 g/mol
LogP2.96
Rot. Bonds2

About (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951048) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951048
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(c1ccc(C)nc1)O2
InChIInChI=1S/C16H17NO3/c1-10-3-4-11(9-17-10)16-8-14(18)13-7-12(19-2)5-6-15(13)20-16/h3-7,9,14,16,18H,8H2,1-2H3/t14-,16?/m1/s1
InChIKeyRBKXICSUWUTYFA-IURRXHLWSA-N
XLogP2.96
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-6-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948412
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076
(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951010
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715443
6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715380
2-(2-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715418
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715305
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
2-(4-methoxyphenyl)-6-[(5-nitro-2-pyridinyl)oxy]-3,4-dihydro-2H-chromen-4-ol
CID 157227084

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol (CID 104951048) is (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)[C@H](O)CC(c1ccc(C)nc1)O2.
What is the InChIKey of (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is RBKXICSUWUTYFA-IURRXHLWSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-3-4-11(9-17-10)16-8-14(18)13-7-12(19-2)5-6-15(13)20-16/h3-7,9,14,16,18H,8H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 271.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).