[6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol

C20H27NO3 — CID 175341136

IUPAC[6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol
SMILESCC1C(c2ccccc2)=CC=CC1(CO)OCCN1CCOCC1
InChIInChI=1S/C20H27NO3/c1-17-19(18-6-3-2-4-7-18)8-5-9-20(17,16-22)24-15-12-21-10-13-23-14-11-21/h2-9,17,22H,10-16H2,1H3
InChIKeyZIIXSUKTMUKIRM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.36
Rot. Bonds6

About [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol

[6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 175341136) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID175341136
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name[6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol
SMILESCC1C(c2ccccc2)=CC=CC1(CO)OCCN1CCOCC1
InChIInChI=1S/C20H27NO3/c1-17-19(18-6-3-2-4-7-18)8-5-9-20(17,16-22)24-15-12-21-10-13-23-14-11-21/h2-9,17,22H,10-16H2,1H3
InChIKeyZIIXSUKTMUKIRM-UHFFFAOYSA-N
XLogP2.36
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol (CID 175341136) is [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol is CC1C(c2ccccc2)=CC=CC1(CO)OCCN1CCOCC1.
What is the InChIKey of [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is ZIIXSUKTMUKIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-17-19(18-6-3-2-4-7-18)8-5-9-20(17,16-22)24-15-12-21-10-13-23-14-11-21/h2-9,17,22H,10-16H2,1H3.
What are the key properties of [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol?
[6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 329.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 175341136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).