5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene

C23H35NO3 — CID 172579099

IUPAC5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene
SMILESC=CC.CCc1cc(O)c(C2C=C(C)CCC2)c(O)c1CN1CCOCC1
InChIInChI=1S/C20H29NO3.C3H6/c1-3-15-12-18(22)19(16-6-4-5-14(2)11-16)20(23)17(15)13-21-7-9-24-10-8-21;1-3-2/h11-12,16,22-23H,3-10,13H2,1-2H3;3H,1H2,2H3
InChIKeyIMFUOJMFHARKIE-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.90
Rot. Bonds4

About 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene

5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene (PubChem CID 172579099) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene.

Molecular Properties

Compound Name5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene
PubChem CID172579099
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene
SMILESC=CC.CCc1cc(O)c(C2C=C(C)CCC2)c(O)c1CN1CCOCC1
InChIInChI=1S/C20H29NO3.C3H6/c1-3-15-12-18(22)19(16-6-4-5-14(2)11-16)20(23)17(15)13-21-7-9-24-10-8-21;1-3-2/h11-12,16,22-23H,3-10,13H2,1-2H3;3H,1H2,2H3
InChIKeyIMFUOJMFHARKIE-UHFFFAOYSA-N
XLogP4.90
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene?
The IUPAC name of 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene (CID 172579099) is 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene.
What is the SMILES notation for 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene?
The canonical SMILES for 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene is C=CC.CCc1cc(O)c(C2C=C(C)CCC2)c(O)c1CN1CCOCC1.
What is the InChIKey of 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene?
The InChIKey is IMFUOJMFHARKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3.C3H6/c1-3-15-12-18(22)19(16-6-4-5-14(2)11-16)20(23)17(15)13-21-7-9-24-10-8-21;1-3-2/h11-12,16,22-23H,3-10,13H2,1-2H3;3H,1H2,2H3.
What are the key properties of 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene?
5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene has a molecular weight of 373.54 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-methylcyclohex-2-en-1-yl)-4-(morpholin-4-ylmethyl)benzene-1,3-diol;prop-1-ene is sourced from PubChem (CID 172579099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).