(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol

C21H27NO4 — CID 126432061

IUPAC(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol
SMILESCOc1cc(C)cc(OC)c1-c1ccc([C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C21H27NO4/c1-15-12-19(24-2)21(20(13-15)25-3)17-6-4-16(5-7-17)18(23)14-22-8-10-26-11-9-22/h4-7,12-13,18,23H,8-11,14H2,1-3H3/t18-/m1/s1
InChIKeyUUQRAPRDLFAADM-GOSISDBHSA-N
MW357.45 g/mol
LogP3.04
Rot. Bonds6

About (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol

(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol (PubChem CID 126432061) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol
PubChem CID126432061
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol
SMILESCOc1cc(C)cc(OC)c1-c1ccc([C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C21H27NO4/c1-15-12-19(24-2)21(20(13-15)25-3)17-6-4-16(5-7-17)18(23)14-22-8-10-26-11-9-22/h4-7,12-13,18,23H,8-11,14H2,1-3H3/t18-/m1/s1
InChIKeyUUQRAPRDLFAADM-GOSISDBHSA-N
XLogP3.04
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 95125897
(1R)-1-[4-(2,3-dimethoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 125438913
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-4-ylethanol
CID 82122625
1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol
CID 45250649
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 95104734
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol
CID 39804559
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488276

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol?
The IUPAC name of (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol (CID 126432061) is (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol.
What is the SMILES notation for (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol?
The canonical SMILES for (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol is COc1cc(C)cc(OC)c1-c1ccc([C@H](O)CN2CCOCC2)cc1.
What is the InChIKey of (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol?
The InChIKey is UUQRAPRDLFAADM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27NO4/c1-15-12-19(24-2)21(20(13-15)25-3)17-6-4-16(5-7-17)18(23)14-22-8-10-26-11-9-22/h4-7,12-13,18,23H,8-11,14H2,1-3H3/t18-/m1/s1.
What are the key properties of (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol?
(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol has a molecular weight of 357.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 126432061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).