1-cycloheptyl-1-phenoxycycloheptane

C20H30O — CID 174805076

IUPAC1-cycloheptyl-1-phenoxycycloheptane
SMILESc1ccc(OC2(C3CCCCCC3)CCCCCC2)cc1
InChIInChI=1S/C20H30O/c1-2-7-13-18(12-6-1)20(16-10-3-4-11-17-20)21-19-14-8-5-9-15-19/h5,8-9,14-15,18H,1-4,6-7,10-13,16-17H2
InChIKeyLPVIERQBXNWFID-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.13
Rot. Bonds3

About 1-cycloheptyl-1-phenoxycycloheptane

1-cycloheptyl-1-phenoxycycloheptane (PubChem CID 174805076) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-cycloheptyl-1-phenoxycycloheptane.

Molecular Properties

Compound Name1-cycloheptyl-1-phenoxycycloheptane
PubChem CID174805076
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-cycloheptyl-1-phenoxycycloheptane
SMILESc1ccc(OC2(C3CCCCCC3)CCCCCC2)cc1
InChIInChI=1S/C20H30O/c1-2-7-13-18(12-6-1)20(16-10-3-4-11-17-20)21-19-14-8-5-9-15-19/h5,8-9,14-15,18H,1-4,6-7,10-13,16-17H2
InChIKeyLPVIERQBXNWFID-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-phenoxycyclohexyl)phosphane
CID 175047235
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743
1-methyl-1-phenoxycycloheptane
CID 101026780
1-phenylbicyclo[4.1.0]heptane
CID 582374
2-amino-1-phenoxycyclohexane-1-carboxylic acid
CID 151454561
(1-cyclohexylcyclohexyl) formate
CID 18360052
1-phenoxycyclopentan-1-amine;hydrochloride
CID 19761720
(1-cycloheptylcycloheptyl) formate
CID 18360055
2-iodo-1-phenoxycyclohexane-1-sulfonamide
CID 139267010
1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443098
magnesium;cyclohexyloxybenzene;hydride
CID 174438663

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-phenoxycycloheptane?
The IUPAC name of 1-cycloheptyl-1-phenoxycycloheptane (CID 174805076) is 1-cycloheptyl-1-phenoxycycloheptane.
What is the SMILES notation for 1-cycloheptyl-1-phenoxycycloheptane?
The canonical SMILES for 1-cycloheptyl-1-phenoxycycloheptane is c1ccc(OC2(C3CCCCCC3)CCCCCC2)cc1.
What is the InChIKey of 1-cycloheptyl-1-phenoxycycloheptane?
The InChIKey is LPVIERQBXNWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-2-7-13-18(12-6-1)20(16-10-3-4-11-17-20)21-19-14-8-5-9-15-19/h5,8-9,14-15,18H,1-4,6-7,10-13,16-17H2.
What are the key properties of 1-cycloheptyl-1-phenoxycycloheptane?
1-cycloheptyl-1-phenoxycycloheptane has a molecular weight of 286.46 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-phenoxycycloheptane is sourced from PubChem (CID 174805076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).