(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

C13H17NO3 — CID 62973507

IUPAC(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(O)c2)CCCO1
InChIInChI=1S/C13H17NO3/c1-10-9-14(6-3-7-17-10)13(16)11-4-2-5-12(15)8-11/h2,4-5,8,10,15H,3,6-7,9H2,1H3
InChIKeyYBCKVCXSFFHFIM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.64
Rot. Bonds1

About (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 62973507) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID62973507
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(O)c2)CCCO1
InChIInChI=1S/C13H17NO3/c1-10-9-14(6-3-7-17-10)13(16)11-4-2-5-12(15)8-11/h2,4-5,8,10,15H,3,6-7,9H2,1H3
InChIKeyYBCKVCXSFFHFIM-UHFFFAOYSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
[3-(3-aminoprop-1-ynyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62969056
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
(3-bromo-4-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79459484
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(4-fluoro-3-sulfanylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 107028932
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 62973507) is (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is CC1CN(C(=O)c2cccc(O)c2)CCCO1.
What is the InChIKey of (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is YBCKVCXSFFHFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-9-14(6-3-7-17-10)13(16)11-4-2-5-12(15)8-11/h2,4-5,8,10,15H,3,6-7,9H2,1H3.
What are the key properties of (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62973507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).