1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane

C20H32O — CID 118144717

IUPAC1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane
SMILESCCCOc1cccc(CCC2(C)CCCCCCC2)c1
InChIInChI=1S/C20H32O/c1-3-16-21-19-11-9-10-18(17-19)12-15-20(2)13-7-5-4-6-8-14-20/h9-11,17H,3-8,12-16H2,1-2H3
InChIKeyBIZQXIDEQFIPGW-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.16
Rot. Bonds6

About 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane

1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane (PubChem CID 118144717) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane.

Molecular Properties

Compound Name1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane
PubChem CID118144717
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane
SMILESCCCOc1cccc(CCC2(C)CCCCCCC2)c1
InChIInChI=1S/C20H32O/c1-3-16-21-19-11-9-10-18(17-19)12-15-20(2)13-7-5-4-6-8-14-20/h9-11,17H,3-8,12-16H2,1-2H3
InChIKeyBIZQXIDEQFIPGW-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
CID 71018372
1-[2-(1-methylcyclohexyl)ethyl]-3-pentan-2-ylbenzene
CID 143800193
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
CID 161427356
1-[2-(3-ethylphenoxy)ethyl]cyclopentan-1-amine
CID 28917907
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
CID 103743629

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane?
The IUPAC name of 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane (CID 118144717) is 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane.
What is the SMILES notation for 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane?
The canonical SMILES for 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane is CCCOc1cccc(CCC2(C)CCCCCCC2)c1.
What is the InChIKey of 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane?
The InChIKey is BIZQXIDEQFIPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-3-16-21-19-11-9-10-18(17-19)12-15-20(2)13-7-5-4-6-8-14-20/h9-11,17H,3-8,12-16H2,1-2H3.
What are the key properties of 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane?
1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane has a molecular weight of 288.48 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(3-propoxyphenyl)ethyl]cyclooctane is sourced from PubChem (CID 118144717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).