1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol

C17H25NO3 — CID 3056591

IUPAC1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2N2CCOCC2)c1
InChIInChI=1S/C17H25NO3/c1-20-15-6-4-5-14(13-15)17(19)8-3-2-7-16(17)18-9-11-21-12-10-18/h4-6,13,16,19H,2-3,7-12H2,1H3
InChIKeyWLRVAMLHQPIKHD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.16
Rot. Bonds3

About 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol

1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol (PubChem CID 3056591) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
PubChem CID3056591
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2N2CCOCC2)c1
InChIInChI=1S/C17H25NO3/c1-20-15-6-4-5-14(13-15)17(19)8-3-2-7-16(17)18-9-11-21-12-10-18/h4-6,13,16,19H,2-3,7-12H2,1H3
InChIKeyWLRVAMLHQPIKHD-UHFFFAOYSA-N
XLogP2.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol (CID 3056591) is 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol is COc1cccc(C2(O)CCCCC2N2CCOCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol?
The InChIKey is WLRVAMLHQPIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-6-4-5-14(13-15)17(19)8-3-2-7-16(17)18-9-11-21-12-10-18/h4-6,13,16,19H,2-3,7-12H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol?
1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol is sourced from PubChem (CID 3056591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).