(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone

C13H16ClNO3 — CID 106861970

IUPAC(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCOCC2CO)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-9-2-3-11(12(14)6-9)13(17)15-4-5-18-8-10(15)7-16/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyHLOSTVBTDIVPFC-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.48
Rot. Bonds2

About (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone

(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 106861970) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID106861970
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCOCC2CO)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-9-2-3-11(12(14)6-9)13(17)15-4-5-18-8-10(15)7-16/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyHLOSTVBTDIVPFC-UHFFFAOYSA-N
XLogP1.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114373014
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 106861332
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
[3-(hydroxymethyl)morpholin-4-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 71785828
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 106861970) is (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is Cc1ccc(C(=O)N2CCOCC2CO)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is HLOSTVBTDIVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9-2-3-11(12(14)6-9)13(17)15-4-5-18-8-10(15)7-16/h2-3,6,10,16H,4-5,7-8H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 269.73 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 106861970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).