(5-chloro-2-methoxyphenyl)-cyclooctylmethanol

C16H23ClO2 — CID 80603904

IUPAC(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
SMILESCOc1ccc(Cl)cc1C(O)C1CCCCCCC1
InChIInChI=1S/C16H23ClO2/c1-19-15-10-9-13(17)11-14(15)16(18)12-7-5-3-2-4-6-8-12/h9-12,16,18H,2-8H2,1H3
InChIKeyKAZIIIZJANAOJO-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.74
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-cyclooctylmethanol

(5-chloro-2-methoxyphenyl)-cyclooctylmethanol (PubChem CID 80603904) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-cyclooctylmethanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
PubChem CID80603904
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
SMILESCOc1ccc(Cl)cc1C(O)C1CCCCCCC1
InChIInChI=1S/C16H23ClO2/c1-19-15-10-9-13(17)11-14(15)16(18)12-7-5-3-2-4-6-8-12/h9-12,16,18H,2-8H2,1H3
InChIKeyKAZIIIZJANAOJO-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-2-methoxyphenyl)-cyclooctylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
CID 79019427
(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
CID 65420387
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
[1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethyl]hydrazine
CID 105278765
(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
CID 105056972
2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
CID 113383462

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-cyclooctylmethanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-cyclooctylmethanol (CID 80603904) is (5-chloro-2-methoxyphenyl)-cyclooctylmethanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-cyclooctylmethanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-cyclooctylmethanol is COc1ccc(Cl)cc1C(O)C1CCCCCCC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-cyclooctylmethanol?
The InChIKey is KAZIIIZJANAOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-19-15-10-9-13(17)11-14(15)16(18)12-7-5-3-2-4-6-8-12/h9-12,16,18H,2-8H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-cyclooctylmethanol?
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol has a molecular weight of 282.81 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-cyclooctylmethanol is sourced from PubChem (CID 80603904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).