2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C17H23ClO — CID 20530283

IUPAC2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C17H23ClO/c1-15(2)13-8-9-16(15,3)17(19,11-13)10-12-4-6-14(18)7-5-12/h4-7,13,19H,8-11H2,1-3H3
InChIKeyNUBQFJWGZPSIHD-UHFFFAOYSA-N
MW278.82 g/mol
LogP4.46
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 20530283) has the molecular formula C17H23ClO and a molecular weight of 278.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID20530283
Molecular FormulaC17H23ClO
Molecular Weight278.82 g/mol
Exact Mass278.14
IUPAC Name2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C17H23ClO/c1-15(2)13-8-9-16(15,3)17(19,11-13)10-12-4-6-14(18)7-5-12/h4-7,13,19H,8-11H2,1-3H3
InChIKeyNUBQFJWGZPSIHD-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 20530283) is 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is NUBQFJWGZPSIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO/c1-15(2)13-8-9-16(15,3)17(19,11-13)10-12-4-6-14(18)7-5-12/h4-7,13,19H,8-11H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
2-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 278.82 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-[(4-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 20530283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).