(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone

C20H23NO3 — CID 102555243

IUPAC(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCCCCC2c2ccccc2)c1O
InChIInChI=1S/C20H23NO3/c1-24-18-13-8-11-16(19(18)22)20(23)21-14-7-3-6-12-17(21)15-9-4-2-5-10-15/h2,4-5,8-11,13,17,22H,3,6-7,12,14H2,1H3
InChIKeyRHYLZNMFRSRZNO-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.16
Rot. Bonds3

About (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone

(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone (PubChem CID 102555243) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
PubChem CID102555243
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCCCCC2c2ccccc2)c1O
InChIInChI=1S/C20H23NO3/c1-24-18-13-8-11-16(19(18)22)20(23)21-14-7-3-6-12-17(21)15-9-4-2-5-10-15/h2,4-5,8-11,13,17,22H,3,6-7,12,14H2,1H3
InChIKeyRHYLZNMFRSRZNO-UHFFFAOYSA-N
XLogP4.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 42940489
[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63395526
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
1-(2-hydroxy-3-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 60968549
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
[2-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63754345
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone?
The IUPAC name of (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone (CID 102555243) is (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone?
The canonical SMILES for (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone is COc1cccc(C(=O)N2CCCCCC2c2ccccc2)c1O.
What is the InChIKey of (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone?
The InChIKey is RHYLZNMFRSRZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-24-18-13-8-11-16(19(18)22)20(23)21-14-7-3-6-12-17(21)15-9-4-2-5-10-15/h2,4-5,8-11,13,17,22H,3,6-7,12,14H2,1H3.
What are the key properties of (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone?
(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone is sourced from PubChem (CID 102555243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).