[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol

C13H18ClNO2 — CID 91648632

IUPAC[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
SMILESCc1cc(Cl)ccc1CN1CCOC(CO)C1
InChIInChI=1S/C13H18ClNO2/c1-10-6-12(14)3-2-11(10)7-15-4-5-17-13(8-15)9-16/h2-3,6,13,16H,4-5,7-9H2,1H3
InChIKeyIGZKPZUIDQKWQN-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.84
Rot. Bonds3

About [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol

[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol (PubChem CID 91648632) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
PubChem CID91648632
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
SMILESCc1cc(Cl)ccc1CN1CCOC(CO)C1
InChIInChI=1S/C13H18ClNO2/c1-10-6-12(14)3-2-11(10)7-15-4-5-17-13(8-15)9-16/h2-3,6,13,16H,4-5,7-9H2,1H3
InChIKeyIGZKPZUIDQKWQN-UHFFFAOYSA-N
XLogP1.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]-3-methylbenzenecarbothioamide
CID 114482010
[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 117045082
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
5-fluoro-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzenecarbothioamide
CID 81203589
[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
CID 86817957
[4-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 81219058

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol (CID 91648632) is [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol is Cc1cc(Cl)ccc1CN1CCOC(CO)C1.
What is the InChIKey of [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol?
The InChIKey is IGZKPZUIDQKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10-6-12(14)3-2-11(10)7-15-4-5-17-13(8-15)9-16/h2-3,6,13,16H,4-5,7-9H2,1H3.
What are the key properties of [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol?
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol has a molecular weight of 255.74 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 91648632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).