1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol

C16H23ClO — CID 65090612

IUPAC1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClO/c1-12(2)13-6-5-10-16(18,11-9-13)14-7-3-4-8-15(14)17/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3
InChIKeyZAUFWHVRKPACHB-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.76
Rot. Bonds2

About 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol

1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol (PubChem CID 65090612) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
PubChem CID65090612
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClO/c1-12(2)13-6-5-10-16(18,11-9-13)14-7-3-4-8-15(14)17/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3
InChIKeyZAUFWHVRKPACHB-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol (CID 65090612) is 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol is CC(C)C1CCCC(O)(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is ZAUFWHVRKPACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-12(2)13-6-5-10-16(18,11-9-13)14-7-3-4-8-15(14)17/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol?
1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 266.81 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 65090612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).