5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol

C16H23NO3 — CID 82187518

IUPAC5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol
SMILESCOc1cccc2c1C(O)C(N1CCCC1)C(C)(C)O2
InChIInChI=1S/C16H23NO3/c1-16(2)15(17-9-4-5-10-17)14(18)13-11(19-3)7-6-8-12(13)20-16/h6-8,14-15,18H,4-5,9-10H2,1-3H3
InChIKeyUATUZBUVZRPEJR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds2

About 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol

5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol (PubChem CID 82187518) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol
PubChem CID82187518
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol
SMILESCOc1cccc2c1C(O)C(N1CCCC1)C(C)(C)O2
InChIInChI=1S/C16H23NO3/c1-16(2)15(17-9-4-5-10-17)14(18)13-11(19-3)7-6-8-12(13)20-16/h6-8,14-15,18H,4-5,9-10H2,1-3H3
InChIKeyUATUZBUVZRPEJR-UHFFFAOYSA-N
XLogP2.36
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187151
3-[2-hydroxyethyl(methyl)amino]-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187507
7-methoxy-2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
CID 82187477
(6aS,10aS)-1-methoxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
CID 122380336
2,2,7,8-tetramethyl-3-piperidin-1-yl-3,4-dihydrochromen-4-ol
CID 82187299
(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-5-carbonitrile;hydrochloride
CID 13223011
(3S,4R)-6-methoxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol;hydrochloride
CID 13223035
(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
CID 12996468
8-chloro-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3,4-dihydrochromen-4-ol
CID 82187363
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
(1S,2S,4R)-8-methoxy-1,2,3,4-tetrahydronaphthalene-1,2,4-triol
CID 139587454

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol?
The IUPAC name of 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol (CID 82187518) is 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol is COc1cccc2c1C(O)C(N1CCCC1)C(C)(C)O2.
What is the InChIKey of 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol?
The InChIKey is UATUZBUVZRPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2)15(17-9-4-5-10-17)14(18)13-11(19-3)7-6-8-12(13)20-16/h6-8,14-15,18H,4-5,9-10H2,1-3H3.
What are the key properties of 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol?
5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol has a molecular weight of 277.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-3-pyrrolidin-1-yl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).