1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol

C29H41NO2 — CID 143036732

IUPAC1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCCC1CCCCN(CC(c2ccc(OCc3ccccc3)cc2)C2(O)CCCCC2)C1
InChIInChI=1S/C29H41NO2/c1-2-24-11-7-10-20-30(21-24)22-28(29(31)18-8-4-9-19-29)26-14-16-27(17-15-26)32-23-25-12-5-3-6-13-25/h3,5-6,12-17,24,28,31H,2,4,7-11,18-23H2,1H3
InChIKeyBNWBLQDBGMMTEB-UHFFFAOYSA-N
MW435.65 g/mol
LogP6.56
Rot. Bonds8

About 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol

1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol (PubChem CID 143036732) has the molecular formula C29H41NO2 and a molecular weight of 435.65 g/mol. Its IUPAC name is 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID143036732
Molecular FormulaC29H41NO2
Molecular Weight435.65 g/mol
Exact Mass435.31
IUPAC Name1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCCC1CCCCN(CC(c2ccc(OCc3ccccc3)cc2)C2(O)CCCCC2)C1
InChIInChI=1S/C29H41NO2/c1-2-24-11-7-10-20-30(21-24)22-28(29(31)18-8-4-9-19-29)26-14-16-27(17-15-26)32-23-25-12-5-3-6-13-25/h3,5-6,12-17,24,28,31H,2,4,7-11,18-23H2,1H3
InChIKeyBNWBLQDBGMMTEB-UHFFFAOYSA-N
XLogP6.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.65
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 11363941
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 72817720
1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660021
1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-(3-chloro-4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 11202867
1-[2-(3-aminopyrrolidin-1-yl)-1-(3-chloro-4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 72748836
1-[1-(3-chloro-4-phenylmethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 11442112
1-[2-(4-methylpiperazin-1-yl)-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]cyclohexan-1-ol
CID 59701240
tert-butyl-[(3S)-1-[2-(1-hydroxycyclohexyl)-2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-3-yl]carbamic acid
CID 68855544
1-[4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 21241505
1-[1-(3-fluoro-4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68851913
4-[2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 91024951
tert-butyl 4-[2-(3-bromo-4-phenylmethoxyphenyl)-2-(1-hydroxycyclohexyl)ethyl]piperazine-1-carboxylate
CID 68852906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol (CID 143036732) is 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol is CCC1CCCCN(CC(c2ccc(OCc3ccccc3)cc2)C2(O)CCCCC2)C1.
What is the InChIKey of 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is BNWBLQDBGMMTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO2/c1-2-24-11-7-10-20-30(21-24)22-28(29(31)18-8-4-9-19-29)26-14-16-27(17-15-26)32-23-25-12-5-3-6-13-25/h3,5-6,12-17,24,28,31H,2,4,7-11,18-23H2,1H3.
What are the key properties of 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol?
1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 435.65 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylazepan-1-yl)-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 143036732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).