1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol

C17H25ClO — CID 65090405

IUPAC1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClO/c1-2-6-14-7-5-11-17(19,12-10-14)13-15-8-3-4-9-16(15)18/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3
InChIKeyDKPYNDRYRCMUQJ-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.99
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol

1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol (PubChem CID 65090405) has the molecular formula C17H25ClO and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
PubChem CID65090405
Molecular FormulaC17H25ClO
Molecular Weight280.84 g/mol
Exact Mass280.16
IUPAC Name1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClO/c1-2-6-14-7-5-11-17(19,12-10-14)13-15-8-3-4-9-16(15)18/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3
InChIKeyDKPYNDRYRCMUQJ-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol (CID 65090405) is 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol?
The InChIKey is DKPYNDRYRCMUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO/c1-2-6-14-7-5-11-17(19,12-10-14)13-15-8-3-4-9-16(15)18/h3-4,8-9,14,19H,2,5-7,10-13H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol?
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol has a molecular weight of 280.84 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65090405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).