(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol

C19H22ClNO3 — CID 95125897

IUPAC(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
SMILESCOc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO3/c1-23-19-7-6-16(12-17(19)20)14-2-4-15(5-3-14)18(22)13-21-8-10-24-11-9-21/h2-7,12,18,22H,8-11,13H2,1H3/t18-/m1/s1
InChIKeySUYPMSRPQVQLNZ-GOSISDBHSA-N
MW347.84 g/mol
LogP3.38
Rot. Bonds5

About (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol

(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol (PubChem CID 95125897) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
PubChem CID95125897
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol
SMILESCOc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO3/c1-23-19-7-6-16(12-17(19)20)14-2-4-15(5-3-14)18(22)13-21-8-10-24-11-9-21/h2-7,12,18,22H,8-11,13H2,1H3/t18-/m1/s1
InChIKeySUYPMSRPQVQLNZ-GOSISDBHSA-N
XLogP3.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-morpholin-4-ylethanol
CID 126432061
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
(1R)-1-[4-(2,3-dimethoxyphenyl)phenyl]-2-morpholin-4-ylethanol
CID 125438913
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347
(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-morpholin-4-ylethanol
CID 39804559
(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 126444747
(1R)-2-morpholin-4-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 126446750
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
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
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol?
The IUPAC name of (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol (CID 95125897) is (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol.
What is the SMILES notation for (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol?
The canonical SMILES for (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol is COc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1Cl.
What is the InChIKey of (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol?
The InChIKey is SUYPMSRPQVQLNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-23-19-7-6-16(12-17(19)20)14-2-4-15(5-3-14)18(22)13-21-8-10-24-11-9-21/h2-7,12,18,22H,8-11,13H2,1H3/t18-/m1/s1.
What are the key properties of (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol?
(1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol has a molecular weight of 347.84 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-chloro-4-methoxyphenyl)phenyl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 95125897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).