(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol

C25H35NO3 — CID 28949400

IUPAC(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
SMILESCOc1ccc([C@@](O)(CCC(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C25H35NO3/c1-20(2)13-14-25(27,22-9-11-23(28-3)12-10-22)24(21-7-5-4-6-8-21)19-26-15-17-29-18-16-26/h4-12,20,24,27H,13-19H2,1-3H3/t24-,25+/m1/s1
InChIKeyYTUJAJLUZJTQQQ-RPBOFIJWSA-N
MW397.56 g/mol
LogP4.43
Rot. Bonds9

About (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol

(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol (PubChem CID 28949400) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol.

Molecular Properties

Compound Name(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
PubChem CID28949400
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
SMILESCOc1ccc([C@@](O)(CCC(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C25H35NO3/c1-20(2)13-14-25(27,22-9-11-23(28-3)12-10-22)24(21-7-5-4-6-8-21)19-26-15-17-29-18-16-26/h4-12,20,24,27H,13-19H2,1-3H3/t24-,25+/m1/s1
InChIKeyYTUJAJLUZJTQQQ-RPBOFIJWSA-N
XLogP4.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
(2R,3S)-3-(4-ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol
CID 28949578
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylnonan-3-ol
CID 28949139
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967
(2R,3S)-3-(4-methoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 92716985
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol?
The IUPAC name of (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol (CID 28949400) is (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol.
What is the SMILES notation for (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol?
The canonical SMILES for (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol is COc1ccc([C@@](O)(CCC(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol?
The InChIKey is YTUJAJLUZJTQQQ-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H35NO3/c1-20(2)13-14-25(27,22-9-11-23(28-3)12-10-22)24(21-7-5-4-6-8-21)19-26-15-17-29-18-16-26/h4-12,20,24,27H,13-19H2,1-3H3/t24-,25+/m1/s1.
What are the key properties of (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol?
(2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol has a molecular weight of 397.56 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol is sourced from PubChem (CID 28949400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).