(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C14H18ClNO3 — CID 107404871

IUPAC(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C14H18ClNO3/c1-14(19)5-2-7-16(8-6-14)13(18)11-9-10(15)3-4-12(11)17/h3-4,9,17,19H,2,5-8H2,1H3
InChIKeySOKALPPJISPYRN-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.42
Rot. Bonds1

About (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404871) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404871
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C14H18ClNO3/c1-14(19)5-2-7-16(8-6-14)13(18)11-9-10(15)3-4-12(11)17/h3-4,9,17,19H,2,5-8H2,1H3
InChIKeySOKALPPJISPYRN-UHFFFAOYSA-N
XLogP2.42
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-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

(5-chloro-2-iodophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107526516
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(3-chloro-4-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404892
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344075
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406432
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(5-chloro-2-hydroxyphenyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107300679
(4-chloro-2-hydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282816
(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103766520
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
(2,5-dihydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107723207
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404871) is (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is SOKALPPJISPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(19)5-2-7-16(8-6-14)13(18)11-9-10(15)3-4-12(11)17/h3-4,9,17,19H,2,5-8H2,1H3.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 283.75 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).