1-(3-phenylpropyl)-4-propylcycloheptan-1-ol

C19H30O — CID 65151413

IUPAC1-(3-phenylpropyl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(CCCc2ccccc2)CC1
InChIInChI=1S/C19H30O/c1-2-8-17-11-6-14-19(20,16-13-17)15-7-12-18-9-4-3-5-10-18/h3-5,9-10,17,20H,2,6-8,11-16H2,1H3
InChIKeyYXUQVZVMKDIQHZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.12
Rot. Bonds6

About 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol

1-(3-phenylpropyl)-4-propylcycloheptan-1-ol (PubChem CID 65151413) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(3-phenylpropyl)-4-propylcycloheptan-1-ol
PubChem CID65151413
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-(3-phenylpropyl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(CCCc2ccccc2)CC1
InChIInChI=1S/C19H30O/c1-2-8-17-11-6-14-19(20,16-13-17)15-7-12-18-9-4-3-5-10-18/h3-5,9-10,17,20H,2,6-8,11-16H2,1H3
InChIKeyYXUQVZVMKDIQHZ-UHFFFAOYSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol?
The IUPAC name of 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol (CID 65151413) is 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol?
The InChIKey is YXUQVZVMKDIQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-2-8-17-11-6-14-19(20,16-13-17)15-7-12-18-9-4-3-5-10-18/h3-5,9-10,17,20H,2,6-8,11-16H2,1H3.
What are the key properties of 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol?
1-(3-phenylpropyl)-4-propylcycloheptan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65151413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).