1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol

C18H28O2 — CID 80603730

IUPAC1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)C2CCCCCCC2)cc1
InChIInChI=1S/C18H28O2/c1-20-17-12-9-15(10-13-17)11-14-18(19)16-7-5-3-2-4-6-8-16/h9-10,12-13,16,18-19H,2-8,11,14H2,1H3
InChIKeyOUMJTXGCEHYGGJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.35
Rot. Bonds5

About 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol

1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 80603730) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
PubChem CID80603730
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)C2CCCCCCC2)cc1
InChIInChI=1S/C18H28O2/c1-20-17-12-9-15(10-13-17)11-14-18(19)16-7-5-3-2-4-6-8-16/h9-10,12-13,16,18-19H,2-8,11,14H2,1H3
InChIKeyOUMJTXGCEHYGGJ-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)propan-1-ol
CID 65445692
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 79968888
3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
CID 112512841
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol (CID 80603730) is 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)C2CCCCCCC2)cc1.
What is the InChIKey of 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is OUMJTXGCEHYGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-20-17-12-9-15(10-13-17)11-14-18(19)16-7-5-3-2-4-6-8-16/h9-10,12-13,16,18-19H,2-8,11,14H2,1H3.
What are the key properties of 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol?
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 80603730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).