3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride

C25H36ClNO3 — CID 24761470

IUPAC3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
SMILESCOc1ccc(C(O)(CCC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C25H35NO3.ClH/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;1H
InChIKeyIVFYVKWDQAKUBA-UHFFFAOYSA-N
MW434.02 g/mol
LogP4.86
Rot. Bonds9

About 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride

3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride (PubChem CID 24761470) has the molecular formula C25H36ClNO3 and a molecular weight of 434.02 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
PubChem CID24761470
Molecular FormulaC25H36ClNO3
Molecular Weight434.02 g/mol
Exact Mass433.24
IUPAC Name3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
SMILESCOc1ccc(C(O)(CCC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C25H35NO3.ClH/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;1H
InChIKeyIVFYVKWDQAKUBA-UHFFFAOYSA-N
XLogP4.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.02
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride (CID 24761470) is 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride is COc1ccc(C(O)(CCC(C)C)C(CN2CCOCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
The InChIKey is IVFYVKWDQAKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3.ClH/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;1H.
What are the key properties of 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride?
3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride has a molecular weight of 434.02 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride is sourced from PubChem (CID 24761470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).