4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol

C19H21Cl2NO4 — CID 95553357

IUPAC4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1O
InChIInChI=1S/C19H21Cl2NO4/c1-24-16-7-12(8-17(25-2)19(16)23)10-22-5-6-26-18(11-22)13-3-4-14(20)15(21)9-13/h3-4,7-9,18,23H,5-6,10-11H2,1-2H3/t18-/m1/s1
InChIKeyBPFWVVATSBVYLN-GOSISDBHSA-N
MW398.29 g/mol
LogP4.29
Rot. Bonds5

About 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol

4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 95553357) has the molecular formula C19H21Cl2NO4 and a molecular weight of 398.29 g/mol. Its IUPAC name is 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
PubChem CID95553357
Molecular FormulaC19H21Cl2NO4
Molecular Weight398.29 g/mol
Exact Mass397.08
IUPAC Name4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1O
InChIInChI=1S/C19H21Cl2NO4/c1-24-16-7-12(8-17(25-2)19(16)23)10-22-5-6-26-18(11-22)13-3-4-14(20)15(21)9-13/h3-4,7-9,18,23H,5-6,10-11H2,1-2H3/t18-/m1/s1
InChIKeyBPFWVVATSBVYLN-GOSISDBHSA-N
XLogP4.29
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

2-[[2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-5-methoxypyran-4-one
CID 56919206
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
(2S)-2-(3,4-dichlorophenyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]morpholine
CID 95549633
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
4-[[(2R)-2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-methoxyphenol
CID 124614792
2-[2-[[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]phenoxy]ethanol
CID 95402420
2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980019
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266
2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine
CID 56868827
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol (CID 95553357) is 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol is COc1cc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1O.
What is the InChIKey of 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is BPFWVVATSBVYLN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21Cl2NO4/c1-24-16-7-12(8-17(25-2)19(16)23)10-22-5-6-26-18(11-22)13-3-4-14(20)15(21)9-13/h3-4,7-9,18,23H,5-6,10-11H2,1-2H3/t18-/m1/s1.
What are the key properties of 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol?
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 398.29 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 95553357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).