phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane

C35H38O3 — CID 144550156

IUPACphenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane
SMILESC=CCc1cc2cc(OC(C)C)c(CC=C)cc2cc1Oc1ccc(C(=O)c2ccccc2)cc1.CCC
InChIInChI=1S/C32H30O3.C3H8/c1-5-10-25-18-28-21-31(26(11-6-2)19-27(28)20-30(25)34-22(3)4)35-29-16-14-24(15-17-29)32(33)23-12-8-7-9-13-23;1-3-2/h5-9,12-22H,1-2,10-11H2,3-4H3;3H2,1-2H3
InChIKeyAXJCUXLEKJBFPC-UHFFFAOYSA-N
MW506.69 g/mol
LogP9.52
Rot. Bonds10

About phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane

phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane (PubChem CID 144550156) has the molecular formula C35H38O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane.

Molecular Properties

Compound Namephenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane
PubChem CID144550156
Molecular FormulaC35H38O3
Molecular Weight506.69 g/mol
Exact Mass506.28
IUPAC Namephenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane
SMILESC=CCc1cc2cc(OC(C)C)c(CC=C)cc2cc1Oc1ccc(C(=O)c2ccccc2)cc1.CCC
InChIInChI=1S/C32H30O3.C3H8/c1-5-10-25-18-28-21-31(26(11-6-2)19-27(28)20-30(25)34-22(3)4)35-29-16-14-24(15-17-29)32(33)23-12-8-7-9-13-23;1-3-2/h5-9,12-22H,1-2,10-11H2,3-4H3;3H2,1-2H3
InChIKeyAXJCUXLEKJBFPC-UHFFFAOYSA-N
XLogP9.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane?
The IUPAC name of phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane (CID 144550156) is phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane.
What is the SMILES notation for phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane?
The canonical SMILES for phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane is C=CCc1cc2cc(OC(C)C)c(CC=C)cc2cc1Oc1ccc(C(=O)c2ccccc2)cc1.CCC.
What is the InChIKey of phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane?
The InChIKey is AXJCUXLEKJBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O3.C3H8/c1-5-10-25-18-28-21-31(26(11-6-2)19-27(28)20-30(25)34-22(3)4)35-29-16-14-24(15-17-29)32(33)23-12-8-7-9-13-23;1-3-2/h5-9,12-22H,1-2,10-11H2,3-4H3;3H2,1-2H3.
What are the key properties of phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane?
phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane has a molecular weight of 506.69 g/mol, XLogP of 9.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane is sourced from PubChem (CID 144550156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).