(2-phenoxyphenyl)cycloheptane

C19H22O — CID 56995549

IUPAC(2-phenoxyphenyl)cycloheptane
SMILESc1ccc(Oc2ccccc2C2CCCCCC2)cc1
InChIInChI=1S/C19H22O/c1-2-5-11-16(10-4-1)18-14-8-9-15-19(18)20-17-12-6-3-7-13-17/h3,6-9,12-16H,1-2,4-5,10-11H2
InChIKeyLGNLGKKTLZTUPR-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.92
Rot. Bonds3

About (2-phenoxyphenyl)cycloheptane

(2-phenoxyphenyl)cycloheptane (PubChem CID 56995549) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (2-phenoxyphenyl)cycloheptane.

Molecular Properties

Compound Name(2-phenoxyphenyl)cycloheptane
PubChem CID56995549
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(2-phenoxyphenyl)cycloheptane
SMILESc1ccc(Oc2ccccc2C2CCCCCC2)cc1
InChIInChI=1S/C19H22O/c1-2-5-11-16(10-4-1)18-14-8-9-15-19(18)20-17-12-6-3-7-13-17/h3,6-9,12-16H,1-2,4-5,10-11H2
InChIKeyLGNLGKKTLZTUPR-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid
CID 69454986
(2-cyclohexylphenyl) dihydrogen phosphite
CID 22719070
1-cyclohexyl-2-(2-prop-1-enylphenoxy)benzene
CID 175747060
1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene
CID 87156210
2-(2-cyclohexylphenoxy)-1,6-naphthyridine
CID 167050185
2-(2-cyclohexylphenoxy)ethanamine
CID 115031579
1-(4-bromobutoxy)-2-cyclohexylbenzene
CID 12660402
4-[2-(3-fluorophenoxy)phenyl]piperidine
CID 45375937
2-cyclododecylphenol
CID 22381643
1-cyclohexyl-2-[(2-cyclohexylphenoxy)-ethenylphosphoryl]oxybenzene
CID 87154908
3,6-dichloro-4-(2-cyclohexylphenoxy)-5-hydroxybenzene-1,2-dicarbonitrile
CID 155755529
bis(2-cyclohexylphenyl) nonanedioate
CID 144725019

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)cycloheptane?
The IUPAC name of (2-phenoxyphenyl)cycloheptane (CID 56995549) is (2-phenoxyphenyl)cycloheptane.
What is the SMILES notation for (2-phenoxyphenyl)cycloheptane?
The canonical SMILES for (2-phenoxyphenyl)cycloheptane is c1ccc(Oc2ccccc2C2CCCCCC2)cc1.
What is the InChIKey of (2-phenoxyphenyl)cycloheptane?
The InChIKey is LGNLGKKTLZTUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-2-5-11-16(10-4-1)18-14-8-9-15-19(18)20-17-12-6-3-7-13-17/h3,6-9,12-16H,1-2,4-5,10-11H2.
What are the key properties of (2-phenoxyphenyl)cycloheptane?
(2-phenoxyphenyl)cycloheptane has a molecular weight of 266.38 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)cycloheptane is sourced from PubChem (CID 56995549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).