2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol

C16H21ClO — CID 115484426

IUPAC2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)C2CC3CCC2C3)cc1C
InChIInChI=1S/C16H21ClO/c1-9-5-14(15(17)6-10(9)2)16(18)13-8-11-3-4-12(13)7-11/h5-6,11-13,16,18H,3-4,7-8H2,1-2H3
InChIKeyBYQFIXBQOCVWEA-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.43
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol

2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol (PubChem CID 115484426) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
PubChem CID115484426
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)C2CC3CCC2C3)cc1C
InChIInChI=1S/C16H21ClO/c1-9-5-14(15(17)6-10(9)2)16(18)13-8-11-3-4-12(13)7-11/h5-6,11-13,16,18H,3-4,7-8H2,1-2H3
InChIKeyBYQFIXBQOCVWEA-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
CID 63426600
2-bicyclo[2.2.1]heptanyl-(2,5-dibromo-4-methylphenyl)methanol
CID 81473785
2-bicyclo[2.2.1]heptanyl-(5-chloro-2-methoxyphenyl)methanol
CID 113383462
2-[2-bromo-2-(2-chloro-4,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 115484866
2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
CID 63426688
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 43099010
1-(2-bicyclo[2.2.1]heptanyl)-2-(3,4-dimethylphenyl)ethanol
CID 63017843
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 115807086
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanol
CID 114686755
(2-chloro-4,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanol
CID 113319534
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine
CID 114246694
5-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-chloro-3-methylthiophene
CID 102764636

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol (CID 115484426) is 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol is Cc1cc(Cl)c(C(O)C2CC3CCC2C3)cc1C.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol?
The InChIKey is BYQFIXBQOCVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c1-9-5-14(15(17)6-10(9)2)16(18)13-8-11-3-4-12(13)7-11/h5-6,11-13,16,18H,3-4,7-8H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol?
2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol has a molecular weight of 264.80 g/mol, XLogP of 4.43, 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-chloro-4,5-dimethylphenyl)methanol is sourced from PubChem (CID 115484426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).