(3-propoxyphenoxy)methylcyclooctane

C18H28O2 — CID 69097441

IUPAC(3-propoxyphenoxy)methylcyclooctane
SMILESCCCOc1cccc(OCC2CCCCCCC2)c1
InChIInChI=1S/C18H28O2/c1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16/h8,11-12,14,16H,2-7,9-10,13,15H2,1H3
InChIKeyHNDVZFZQDSADEM-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.21
Rot. Bonds6

About (3-propoxyphenoxy)methylcyclooctane

(3-propoxyphenoxy)methylcyclooctane (PubChem CID 69097441) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (3-propoxyphenoxy)methylcyclooctane.

Molecular Properties

Compound Name(3-propoxyphenoxy)methylcyclooctane
PubChem CID69097441
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(3-propoxyphenoxy)methylcyclooctane
SMILESCCCOc1cccc(OCC2CCCCCCC2)c1
InChIInChI=1S/C18H28O2/c1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16/h8,11-12,14,16H,2-7,9-10,13,15H2,1H3
InChIKeyHNDVZFZQDSADEM-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
CID 69097440
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene
CID 69097333
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
cyclohexylmethoxybenzene
CID 14399287
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
2-[3-(cyclohexylmethoxy)phenoxy]-2-methylpropan-1-amine
CID 163732576
[3-(cyclohexylmethoxy)phenyl]-trifluoroboranuide
CID 55232578

Frequently Asked Questions

What is the IUPAC name of (3-propoxyphenoxy)methylcyclooctane?
The IUPAC name of (3-propoxyphenoxy)methylcyclooctane (CID 69097441) is (3-propoxyphenoxy)methylcyclooctane.
What is the SMILES notation for (3-propoxyphenoxy)methylcyclooctane?
The canonical SMILES for (3-propoxyphenoxy)methylcyclooctane is CCCOc1cccc(OCC2CCCCCCC2)c1.
What is the InChIKey of (3-propoxyphenoxy)methylcyclooctane?
The InChIKey is HNDVZFZQDSADEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-2-13-19-17-11-8-12-18(14-17)20-15-16-9-6-4-3-5-7-10-16/h8,11-12,14,16H,2-7,9-10,13,15H2,1H3.
What are the key properties of (3-propoxyphenoxy)methylcyclooctane?
(3-propoxyphenoxy)methylcyclooctane has a molecular weight of 276.42 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxyphenoxy)methylcyclooctane is sourced from PubChem (CID 69097441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).