2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol

C14H16Cl2O — CID 63426600

IUPAC2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
SMILESOC(c1cc(Cl)ccc1Cl)C1CC2CCC1C2
InChIInChI=1S/C14H16Cl2O/c15-10-3-4-13(16)12(7-10)14(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11,14,17H,1-2,5-6H2
InChIKeyNAVFCYIAIDFCQJ-UHFFFAOYSA-N
MW271.19 g/mol
LogP4.46
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol

2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol (PubChem CID 63426600) has the molecular formula C14H16Cl2O and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
PubChem CID63426600
Molecular FormulaC14H16Cl2O
Molecular Weight271.19 g/mol
Exact Mass270.06
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
SMILESOC(c1cc(Cl)ccc1Cl)C1CC2CCC1C2
InChIInChI=1S/C14H16Cl2O/c15-10-3-4-13(16)12(7-10)14(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11,14,17H,1-2,5-6H2
InChIKeyNAVFCYIAIDFCQJ-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
CID 113383462
2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484426
2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
CID 106987790
2-[2-bromo-2-(2,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63444757
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorophenyl)ethanamine
CID 43167287
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 104546461
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618237
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43104674
2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
CID 63426688
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol
CID 81473785
1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol
CID 61363792

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol (CID 63426600) is 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol is OC(c1cc(Cl)ccc1Cl)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol?
The InChIKey is NAVFCYIAIDFCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O/c15-10-3-4-13(16)12(7-10)14(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11,14,17H,1-2,5-6H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol?
2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol has a molecular weight of 271.19 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol is sourced from PubChem (CID 63426600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).