(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone

C15H21NO3 — CID 62045617

IUPAC(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCCC(C)CC2)c1O
InChIInChI=1S/C15H21NO3/c1-11-5-4-9-16(10-8-11)15(18)12-6-3-7-13(19-2)14(12)17/h3,6-7,11,17H,4-5,8-10H2,1-2H3
InChIKeyVEZSQGWIGHMHIE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.66
Rot. Bonds2

About (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone

(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone (PubChem CID 62045617) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
PubChem CID62045617
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCCC(C)CC2)c1O
InChIInChI=1S/C15H21NO3/c1-11-5-4-9-16(10-8-11)15(18)12-6-3-7-13(19-2)14(12)17/h3,6-7,11,17H,4-5,8-10H2,1-2H3
InChIKeyVEZSQGWIGHMHIE-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
(5-bromo-2-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 113241159
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498303
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 42940489
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The IUPAC name of (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone (CID 62045617) is (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The canonical SMILES for (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone is COc1cccc(C(=O)N2CCCC(C)CC2)c1O.
What is the InChIKey of (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
The InChIKey is VEZSQGWIGHMHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-4-9-16(10-8-11)15(18)12-6-3-7-13(19-2)14(12)17/h3,6-7,11,17H,4-5,8-10H2,1-2H3.
What are the key properties of (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone?
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 62045617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).