2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol

C15H19ClO2 — CID 113383462

IUPAC2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)C1CC2CCC1C2
InChIInChI=1S/C15H19ClO2/c1-18-14-5-4-11(16)8-13(14)15(17)12-7-9-2-3-10(12)6-9/h4-5,8-10,12,15,17H,2-3,6-7H2,1H3
InChIKeyXIOVJDBGYNRTMZ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.82
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol

2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol (PubChem CID 113383462) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
PubChem CID113383462
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)C1CC2CCC1C2
InChIInChI=1S/C15H19ClO2/c1-18-14-5-4-11(16)8-13(14)15(17)12-7-9-2-3-10(12)6-9/h4-5,8-10,12,15,17H,2-3,6-7H2,1H3
InChIKeyXIOVJDBGYNRTMZ-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 104546461
2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
CID 63426600
(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
CID 65420387
2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484426
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(5-chloro-2-methoxyphenyl)thiourea
CID 19651473
2-[chloro-(2,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 63429581
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 115821259
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
2-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 63447813
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
2-bicyclo[2.2.1]heptanyl-(3-fluoro-2-methoxy-4-pyridinyl)methanol
CID 114270352

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol (CID 113383462) is 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol is COc1ccc(Cl)cc1C(O)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol?
The InChIKey is XIOVJDBGYNRTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-18-14-5-4-11(16)8-13(14)15(17)12-7-9-2-3-10(12)6-9/h4-5,8-10,12,15,17H,2-3,6-7H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol?
2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol has a molecular weight of 266.77 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol is sourced from PubChem (CID 113383462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).