(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone

C14H19NO4 — CID 103579414

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCOC1CN(C(=O)c2ccc(O)cc2C)CC1OC
InChIInChI=1S/C14H19NO4/c1-9-6-10(16)4-5-11(9)14(17)15-7-12(18-2)13(8-15)19-3/h4-6,12-13,16H,7-8H2,1-3H3
InChIKeyRNLWLSAVMGEEOS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds3

About (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone

(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 103579414) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
PubChem CID103579414
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
SMILESCOC1CN(C(=O)c2ccc(O)cc2C)CC1OC
InChIInChI=1S/C14H19NO4/c1-9-6-10(16)4-5-11(9)14(17)15-7-12(18-2)13(8-15)19-3/h4-6,12-13,16H,7-8H2,1-3H3
InChIKeyRNLWLSAVMGEEOS-UHFFFAOYSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3aS,5R,6R,7aR)-2-(4-hydroxy-2-methylbenzoyl)-6-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172665207
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
(4-hydroxy-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 103865632
(5-amino-2,4-dimethylphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530181
(3,4-dimethylpiperazin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103873477
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(5-amino-2-methylphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530114
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
(3,5-dihydroxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103579430
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone (CID 103579414) is (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone is COC1CN(C(=O)c2ccc(O)cc2C)CC1OC.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is RNLWLSAVMGEEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-10(16)4-5-11(9)14(17)15-7-12(18-2)13(8-15)19-3/h4-6,12-13,16H,7-8H2,1-3H3.
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone?
(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 265.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 103579414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).