2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane

C19H28O — CID 19387628

IUPAC2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane
SMILESCCCOc1ccc(C2CC3(CC(CCC)C3)C2)cc1
InChIInChI=1S/C19H28O/c1-3-5-15-11-19(12-15)13-17(14-19)16-6-8-18(9-7-16)20-10-4-2/h6-9,15,17H,3-5,10-14H2,1-2H3
InChIKeyASLAENAZPAQEHR-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.55
Rot. Bonds6

About 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane

2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane (PubChem CID 19387628) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane.

Molecular Properties

Compound Name2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane
PubChem CID19387628
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane
SMILESCCCOc1ccc(C2CC3(CC(CCC)C3)C2)cc1
InChIInChI=1S/C19H28O/c1-3-5-15-11-19(12-15)13-17(14-19)16-6-8-18(9-7-16)20-10-4-2/h6-9,15,17H,3-5,10-14H2,1-2H3
InChIKeyASLAENAZPAQEHR-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-butyl-2-(4-methoxyphenyl)spiro[3.3]heptane
CID 19387563
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834
dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane
CID 123271377
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene
CID 19780975
2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one
CID 81414984
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
1-(4-methylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 58933295
2-[2-(4-ethylcyclohexyl)ethyl]-6-(4-propoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837637

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane?
The IUPAC name of 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane (CID 19387628) is 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane.
What is the SMILES notation for 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane?
The canonical SMILES for 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane is CCCOc1ccc(C2CC3(CC(CCC)C3)C2)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane?
The InChIKey is ASLAENAZPAQEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-3-5-15-11-19(12-15)13-17(14-19)16-6-8-18(9-7-16)20-10-4-2/h6-9,15,17H,3-5,10-14H2,1-2H3.
What are the key properties of 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane?
2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane has a molecular weight of 272.43 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane is sourced from PubChem (CID 19387628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).