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

C14H19NO3 — CID 82829577

IUPAC(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCCOC(C)C1
InChIInChI=1S/C14H19NO3/c1-10-9-15(7-4-8-18-10)14(17)12-5-3-6-13(16)11(12)2/h3,5-6,10,16H,4,7-9H2,1-2H3
InChIKeyHJOXRMSWMWXJRW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds1

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

(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (PubChem CID 82829577) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
PubChem CID82829577
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCCOC(C)C1
InChIInChI=1S/C14H19NO3/c1-10-9-15(7-4-8-18-10)14(17)12-5-3-6-13(16)11(12)2/h3,5-6,10,16H,4,7-9H2,1-2H3
InChIKeyHJOXRMSWMWXJRW-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
(2-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
(2-methyl-1,4-oxazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62973493
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 102937779
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501
(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968377
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The IUPAC name of (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone (CID 82829577) is (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is Cc1c(O)cccc1C(=O)N1CCCOC(C)C1.
What is the InChIKey of (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
The InChIKey is HJOXRMSWMWXJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-15(7-4-8-18-10)14(17)12-5-3-6-13(16)11(12)2/h3,5-6,10,16H,4,7-9H2,1-2H3.
What are the key properties of (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone?
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 82829577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).